1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one

C17H24N4O4S — CID 155945598

IUPAC1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCNC1=O
InChIInChI=1S/C17H24N4O4S/c22-16(21-12-9-18-17(21)23)13-19-14-5-7-15(8-6-14)26(24,25)20-10-3-1-2-4-11-20/h5-8,19H,1-4,9-13H2,(H,18,23)
InChIKeyQFXFKYVTYWAAJH-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one

1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one (PubChem CID 155945598) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one
PubChem CID155945598
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCNC1=O
InChIInChI=1S/C17H24N4O4S/c22-16(21-12-9-18-17(21)23)13-19-14-5-7-15(8-6-14)26(24,25)20-10-3-1-2-4-11-20/h5-8,19H,1-4,9-13H2,(H,18,23)
InChIKeyQFXFKYVTYWAAJH-UHFFFAOYSA-N
XLogP1.22
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one 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

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 8705386
1-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]imidazolidin-2-one
CID 9450840
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
2-[4-(azepan-1-ylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31054392
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-methyl-2-[4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]phenyl]acetamide
CID 37231270
2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
CID 110825269
2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824094
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
CID 42067264
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 30572073
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one (CID 155945598) is 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one is O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCNC1=O.
What is the InChIKey of 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one?
The InChIKey is QFXFKYVTYWAAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c22-16(21-12-9-18-17(21)23)13-19-14-5-7-15(8-6-14)26(24,25)20-10-3-1-2-4-11-20/h5-8,19H,1-4,9-13H2,(H,18,23).
What are the key properties of 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one?
1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one has a molecular weight of 380.47 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 155945598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).