N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide

C20H26N2O4S2 — CID 9466304

IUPACN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCc1cccs1
InChIInChI=1S/C20H26N2O4S2/c1-26-19-10-9-17(28(24,25)22-12-4-2-3-5-13-22)15-18(19)21-20(23)11-8-16-7-6-14-27-16/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H,21,23)
InChIKeyKFDBBBBVEAONAD-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.89
Rot. Bonds7

About N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide

N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide (PubChem CID 9466304) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
PubChem CID9466304
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCc1cccs1
InChIInChI=1S/C20H26N2O4S2/c1-26-19-10-9-17(28(24,25)22-12-4-2-3-5-13-22)15-18(19)21-20(23)11-8-16-7-6-14-27-16/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H,21,23)
InChIKeyKFDBBBBVEAONAD-UHFFFAOYSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide 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-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide
CID 26265407
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 30843558
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
N-(5-bromo-2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60540334
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide (CID 9466304) is N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCc1cccs1.
What is the InChIKey of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is KFDBBBBVEAONAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-26-19-10-9-17(28(24,25)22-12-4-2-3-5-13-22)15-18(19)21-20(23)11-8-16-7-6-14-27-16/h6-7,9-10,14-15H,2-5,8,11-13H2,1H3,(H,21,23).
What are the key properties of N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide?
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 422.57 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 9466304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).