(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide

C14H20N2O4S — CID 95981916

IUPAC(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C2CC2)cc1C
InChIInChI=1S/C14H20N2O4S/c1-9-7-11(5-6-13(9)20-2)21(18,19)16-12(8-14(15)17)10-3-4-10/h5-7,10,12,16H,3-4,8H2,1-2H3,(H2,15,17)/t12-/m0/s1
InChIKeyBUBXDNUIPMFFAV-LBPRGKRZSA-N
MW312.39 g/mol
LogP0.94
Rot. Bonds7

About (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide

(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide (PubChem CID 95981916) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
PubChem CID95981916
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C2CC2)cc1C
InChIInChI=1S/C14H20N2O4S/c1-9-7-11(5-6-13(9)20-2)21(18,19)16-12(8-14(15)17)10-3-4-10/h5-7,10,12,16H,3-4,8H2,1-2H3,(H2,15,17)/t12-/m0/s1
InChIKeyBUBXDNUIPMFFAV-LBPRGKRZSA-N
XLogP0.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]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

methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
(3S)-3-cyclopropyl-3-[(3,4-dichlorophenyl)sulfonylamino]propanamide
CID 95776994
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
CID 119983507
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
1-[(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxamide
CID 30143781
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119986999
methyl 2-bromo-5-[(1-cyclopropyl-3-methoxy-3-oxopropyl)sulfamoyl]benzoate
CID 71858267
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 120585325
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide (CID 95981916) is (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C2CC2)cc1C.
What is the InChIKey of (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
The InChIKey is BUBXDNUIPMFFAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-7-11(5-6-13(9)20-2)21(18,19)16-12(8-14(15)17)10-3-4-10/h5-7,10,12,16H,3-4,8H2,1-2H3,(H2,15,17)/t12-/m0/s1.
What are the key properties of (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
(3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide has a molecular weight of 312.39 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-3-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 95981916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).