N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide

C17H21N5O4S — CID 46330284

IUPACN-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
SMILESCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccco3)ccc21
InChIInChI=1S/C17H21N5O4S/c1-12(2)22-16-7-6-14(9-15(16)19-20-22)27(24,25)21(3)11-17(23)18-10-13-5-4-8-26-13/h4-9,12H,10-11H2,1-3H3,(H,18,23)
InChIKeyYUTOZPARANMXHZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.54
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide

N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide (PubChem CID 46330284) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
PubChem CID46330284
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
SMILESCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccco3)ccc21
InChIInChI=1S/C17H21N5O4S/c1-12(2)22-16-7-6-14(9-15(16)19-20-22)27(24,25)21(3)11-17(23)18-10-13-5-4-8-26-13/h4-9,12H,10-11H2,1-3H3,(H,18,23)
InChIKeyYUTOZPARANMXHZ-UHFFFAOYSA-N
XLogP1.54
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92871359
(2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 92871306
2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 92871347
N-(furan-2-ylmethyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide
CID 18170892
2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-butylacetamide
CID 92871354
2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 46330258
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330312
N-(furan-2-ylmethyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1085413
N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-propan-2-ylbenzotriazole-5-sulfonamide
CID 46330292
2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50787570
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 6493708

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide (CID 46330284) is N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide is CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccco3)ccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide?
The InChIKey is YUTOZPARANMXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-12(2)22-16-7-6-14(9-15(16)19-20-22)27(24,25)21(3)11-17(23)18-10-13-5-4-8-26-13/h4-9,12H,10-11H2,1-3H3,(H,18,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide?
N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide has a molecular weight of 391.45 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide is sourced from PubChem (CID 46330284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).