N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide

C74H121N9O7S4 — CID 159764877

IUPACN-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccc(C)s1.CCC(C)(C)C(=O)N(C)Cc1ccco1.CCC(C)(C)C(=O)N(C)Cc1cccs1.CCC(C)(C)C(=O)N(C)Cc1ccn(C)n1.CCC(C)(C)C(=O)N(C)Cc1cnc(C)s1.CCC(C)(C)C(=O)N(C)Cc1sccc1C
InChIInChI=1S/2C13H21NOS.C12H21N3O.C12H20N2OS.C12H19NO2.C12H19NOS/c1-6-13(3,4)12(15)14(5)9-11-10(2)7-8-16-11;1-6-13(3,4)12(15)14(5)9-11-8-7-10(2)16-11;1-6-12(2,3)11(16)14(4)9-10-7-8-15(5)13-10;1-6-12(3,4)11(15)14(5)8-10-7-13-9(2)16-10;2*1-5-12(2,3)11(14)13(4)9-10-7-6-8-15-10/h3*7-8H,6,9H2,1-5H3;7H,6,8H2,1-5H3;2*6-8H,5,9H2,1-4H3
InChIKeyNFJGBEOWHASDQD-UHFFFAOYSA-N
MW1377.11 g/mol
LogP17.38
Rot. Bonds24

About N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide

N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 159764877) has the molecular formula C74H121N9O7S4 and a molecular weight of 1377.11 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID159764877
Molecular FormulaC74H121N9O7S4
Molecular Weight1377.11 g/mol
Exact Mass1375.83
IUPAC NameN-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccc(C)s1.CCC(C)(C)C(=O)N(C)Cc1ccco1.CCC(C)(C)C(=O)N(C)Cc1cccs1.CCC(C)(C)C(=O)N(C)Cc1ccn(C)n1.CCC(C)(C)C(=O)N(C)Cc1cnc(C)s1.CCC(C)(C)C(=O)N(C)Cc1sccc1C
InChIInChI=1S/2C13H21NOS.C12H21N3O.C12H20N2OS.C12H19NO2.C12H19NOS/c1-6-13(3,4)12(15)14(5)9-11-10(2)7-8-16-11;1-6-13(3,4)12(15)14(5)9-11-8-7-10(2)16-11;1-6-12(2,3)11(16)14(4)9-10-7-8-15(5)13-10;1-6-12(3,4)11(15)14(5)8-10-7-13-9(2)16-10;2*1-5-12(2,3)11(14)13(4)9-10-7-6-8-15-10/h3*7-8H,6,9H2,1-5H3;7H,6,8H2,1-5H3;2*6-8H,5,9H2,1-4H3
InChIKeyNFJGBEOWHASDQD-UHFFFAOYSA-N
XLogP17.38
TPSA165.71 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001377.11
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide with MolForge

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Related Compounds

[2-(Furan-2-yl)-1,3-thiazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 53589344
[2-(Furan-2-yl)-1,3-thiazol-5-yl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 53606027
2-[2-(Furan-2-yl)-1,3-thiazol-4-yl]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53623504
[2-(Furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779224
[2-(Furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56779471
N-(2-furylmethyl)-2-{3-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazol-1-yl}acetamide
CID 28482137
2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 51088658
N-(furan-2-ylmethyl)-2-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
CID 72001351
3-ethyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 136519900
1-(2,2-Difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 157177074
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55889105
N-(furan-2-ylmethyl)-2-(1-phenylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86875762

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide (CID 159764877) is N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide is CCC(C)(C)C(=O)N(C)Cc1ccc(C)s1.CCC(C)(C)C(=O)N(C)Cc1ccco1.CCC(C)(C)C(=O)N(C)Cc1cccs1.CCC(C)(C)C(=O)N(C)Cc1ccn(C)n1.CCC(C)(C)C(=O)N(C)Cc1cnc(C)s1.CCC(C)(C)C(=O)N(C)Cc1sccc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is NFJGBEOWHASDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21NOS.C12H21N3O.C12H20N2OS.C12H19NO2.C12H19NOS/c1-6-13(3,4)12(15)14(5)9-11-10(2)7-8-16-11;1-6-13(3,4)12(15)14(5)9-11-8-7-10(2)16-11;1-6-12(2,3)11(16)14(4)9-10-7-8-15(5)13-10;1-6-12(3,4)11(15)14(5)8-10-7-13-9(2)16-10;2*1-5-12(2,3)11(14)13(4)9-10-7-6-8-15-10/h3*7-8H,6,9H2,1-5H3;7H,6,8H2,1-5H3;2*6-8H,5,9H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide?
N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 1377.11 g/mol, XLogP of 17.38, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,2,2-trimethylbutanamide;N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide;N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;N,2,2-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 159764877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).