4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide

C15H20N4O4S — CID 96542975

IUPAC4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide
SMILESCC(C)[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H20N4O4S/c1-9(2)13(8-16)18-15(21)10(3)19-24(22,23)12-6-4-11(5-7-12)14(17)20/h4-7,9-10,13,19H,1-3H3,(H2,17,20)(H,18,21)/t10-,13-/m1/s1
InChIKeyOOWDGOAWZLRMKL-ZWNOBZJWSA-N
MW352.42 g/mol
LogP0.12
Rot. Bonds7

About 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide

4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide (PubChem CID 96542975) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide
PubChem CID96542975
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide
SMILESCC(C)[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H20N4O4S/c1-9(2)13(8-16)18-15(21)10(3)19-24(22,23)12-6-4-11(5-7-12)14(17)20/h4-7,9-10,13,19H,1-3H3,(H2,17,20)(H,18,21)/t10-,13-/m1/s1
InChIKeyOOWDGOAWZLRMKL-ZWNOBZJWSA-N
XLogP0.12
TPSA142.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide with MolForge

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Related Compounds

4-[[(2S)-1-[(3-cyanophenyl)methylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 96542965
4-[(1-amino-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 65192569
[(1R)-1-cyanoethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
CID 8939367
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 115754843
4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 4532782
4-[[(2R)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]benzamide
CID 40645986
4-(methylsulfamoyl)benzamide
CID 43241290
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61465790
(2S)-2-[(4-carbamoylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173826
4-[[(2R)-1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 97000634
4-[[1-[4-(4-fluorophenoxy)butylamino]-1-oxopropan-2-yl]sulfamoyl]benzamide
CID 71848474

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide (CID 96542975) is 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide is CC(C)[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
The InChIKey is OOWDGOAWZLRMKL-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-9(2)13(8-16)18-15(21)10(3)19-24(22,23)12-6-4-11(5-7-12)14(17)20/h4-7,9-10,13,19H,1-3H3,(H2,17,20)(H,18,21)/t10-,13-/m1/s1.
What are the key properties of 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide?
4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide has a molecular weight of 352.42 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-[[(1S)-1-cyano-2-methylpropyl]amino]-1-oxopropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 96542975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).