N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C20H28N4O5S2 — CID 26860666

IUPACN-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCSCC[C@H]1NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O
InChIInChI=1S/C20H28N4O5S2/c1-30-12-9-17-19(26)24(20(27)22-17)14-18(25)21-15-7-6-8-16(13-15)31(28,29)23-10-4-2-3-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H,21,25)(H,22,27)/t17-/m1/s1
InChIKeyXRRYNWWMTUUKML-QGZVFWFLSA-N
MW468.60 g/mol
LogP1.86
Rot. Bonds8

About N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 26860666) has the molecular formula C20H28N4O5S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID26860666
Molecular FormulaC20H28N4O5S2
Molecular Weight468.60 g/mol
Exact Mass468.15
IUPAC NameN-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCSCC[C@H]1NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O
InChIInChI=1S/C20H28N4O5S2/c1-30-12-9-17-19(26)24(20(27)22-17)14-18(25)21-15-7-6-8-16(13-15)31(28,29)23-10-4-2-3-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H,21,25)(H,22,27)/t17-/m1/s1
InChIKeyXRRYNWWMTUUKML-QGZVFWFLSA-N
XLogP1.86
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide 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-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 26888667
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 18287991
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 41102906
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 47093750
2-[3-(2-methylcyclohexyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42900159
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931048
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 18205489
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16591807
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
(2S)-2-amino-4-methylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262501
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 26860666) is N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CSCC[C@H]1NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is XRRYNWWMTUUKML-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O5S2/c1-30-12-9-17-19(26)24(20(27)22-17)14-18(25)21-15-7-6-8-16(13-15)31(28,29)23-10-4-2-3-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H,21,25)(H,22,27)/t17-/m1/s1.
What are the key properties of N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 468.60 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(4R)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 26860666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).