N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide

C16H20N2O4S — CID 91643677

IUPACN-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCC1CCC(C)O1
InChIInChI=1S/C16H20N2O4S/c1-11-3-5-13(10-17)9-15(11)23(20,21)18-16(19)8-7-14-6-4-12(2)22-14/h3,5,9,12,14H,4,6-8H2,1-2H3,(H,18,19)
InChIKeyDOAYDCQSSYNBMT-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.02
Rot. Bonds5

About N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide

N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide (PubChem CID 91643677) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide
PubChem CID91643677
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCC1CCC(C)O1
InChIInChI=1S/C16H20N2O4S/c1-11-3-5-13(10-17)9-15(11)23(20,21)18-16(19)8-7-14-6-4-12(2)22-14/h3,5,9,12,14H,4,6-8H2,1-2H3,(H,18,19)
InChIKeyDOAYDCQSSYNBMT-UHFFFAOYSA-N
XLogP2.02
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-N-(5-cyano-2-methylphenyl)sulfonylbutanamide
CID 99808339
cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321633
5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974339
4-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]benzoic acid
CID 119219419
5-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107848116
5-cyano-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 115902839
5-cyano-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616340
5-cyano-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685043
5-cyano-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563212
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
(2S)-4-[(5-cyano-2-methylphenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934150

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide (CID 91643677) is N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide is Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCC1CCC(C)O1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide?
The InChIKey is DOAYDCQSSYNBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-3-5-13(10-17)9-15(11)23(20,21)18-16(19)8-7-14-6-4-12(2)22-14/h3,5,9,12,14H,4,6-8H2,1-2H3,(H,18,19).
What are the key properties of N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide?
N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide has a molecular weight of 336.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)sulfonyl-3-(5-methyloxolan-2-yl)propanamide is sourced from PubChem (CID 91643677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).