2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide

C24H35N3O5S — CID 3206914

IUPAC2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide
SMILESCCC(C)(C)NC(=O)C(C(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H35N3O5S/c1-7-24(5,6)26-23(29)22(17(2)3)27(16-19-9-8-14-32-19)21(28)15-25-33(30,31)20-12-10-18(4)11-13-20/h8-14,17,22,25H,7,15-16H2,1-6H3,(H,26,29)
InChIKeyWYCDNUFQLMPHBI-UHFFFAOYSA-N
MW477.63 g/mol
LogP3.22
Rot. Bonds11

About 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide

2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide (PubChem CID 3206914) has the molecular formula C24H35N3O5S and a molecular weight of 477.63 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide
PubChem CID3206914
Molecular FormulaC24H35N3O5S
Molecular Weight477.63 g/mol
Exact Mass477.23
IUPAC Name2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide
SMILESCCC(C)(C)NC(=O)C(C(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H35N3O5S/c1-7-24(5,6)26-23(29)22(17(2)3)27(16-19-9-8-14-32-19)21(28)15-25-33(30,31)20-12-10-18(4)11-13-20/h8-14,17,22,25H,7,15-16H2,1-6H3,(H,26,29)
InChIKeyWYCDNUFQLMPHBI-UHFFFAOYSA-N
XLogP3.22
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide
CID 3206911
2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
CID 3207116
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 654223
N-tert-butyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide
CID 3206890
2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 1167420
2-(2-fluoro-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3206939
N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 132988725
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925134
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 51899633
(2R)-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 124765244
3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 3206894
N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205556

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide?
The IUPAC name of 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide (CID 3206914) is 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide?
The canonical SMILES for 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide is CCC(C)(C)NC(=O)C(C(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide?
The InChIKey is WYCDNUFQLMPHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5S/c1-7-24(5,6)26-23(29)22(17(2)3)27(16-19-9-8-14-32-19)21(28)15-25-33(30,31)20-12-10-18(4)11-13-20/h8-14,17,22,25H,7,15-16H2,1-6H3,(H,26,29).
What are the key properties of 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide?
2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide has a molecular weight of 477.63 g/mol, XLogP of 3.22, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide is sourced from PubChem (CID 3206914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).