N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide

C13H21N3O3S — CID 60853256

IUPACN-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)CCNC(C)C)c1
InChIInChI=1S/C13H21N3O3S/c1-10(2)15-8-7-13(17)16-11-5-4-6-12(9-11)20(18,19)14-3/h4-6,9-10,14-15H,7-8H2,1-3H3,(H,16,17)
InChIKeySNTWFDYCTKPFRA-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.92
Rot. Bonds7

About N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide

N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60853256) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide
PubChem CID60853256
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)CCNC(C)C)c1
InChIInChI=1S/C13H21N3O3S/c1-10(2)15-8-7-13(17)16-11-5-4-6-12(9-11)20(18,19)14-3/h4-6,9-10,14-15H,7-8H2,1-3H3,(H,16,17)
InChIKeySNTWFDYCTKPFRA-UHFFFAOYSA-N
XLogP0.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)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

N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
3-(tert-butylamino)-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 60849734
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
4,4-dimethyl-N-[3-(methylsulfamoyl)phenyl]-3-oxopentanamide
CID 88797658
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680
(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
N-(3-ethynylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852147
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide (CID 60853256) is N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide is CNS(=O)(=O)c1cccc(NC(=O)CCNC(C)C)c1.
What is the InChIKey of N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is SNTWFDYCTKPFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(2)15-8-7-13(17)16-11-5-4-6-12(9-11)20(18,19)14-3/h4-6,9-10,14-15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide?
N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 299.40 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60853256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).