N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide

C15H18N2O4S2 — CID 3236087

IUPACN-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOc1cccc(CNC(=O)CCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H18N2O4S2/c1-21-13-5-2-4-12(10-13)11-16-14(18)7-8-17-23(19,20)15-6-3-9-22-15/h2-6,9-10,17H,7-8,11H2,1H3,(H,16,18)
InChIKeyPXVFEXZCYGPINO-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.74
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide

N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 3236087) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID3236087
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOc1cccc(CNC(=O)CCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H18N2O4S2/c1-21-13-5-2-4-12(10-13)11-16-14(18)7-8-17-23(19,20)15-6-3-9-22-15/h2-6,9-10,17H,7-8,11H2,1H3,(H,16,18)
InChIKeyPXVFEXZCYGPINO-UHFFFAOYSA-N
XLogP1.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide (CID 3236087) is N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide is COc1cccc(CNC(=O)CCNS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is PXVFEXZCYGPINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-21-13-5-2-4-12(10-13)11-16-14(18)7-8-17-23(19,20)15-6-3-9-22-15/h2-6,9-10,17H,7-8,11H2,1H3,(H,16,18).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 354.45 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 3236087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).