4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C23H30N2O4S — CID 26996046

IUPAC4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17(2)24-30(27,28)21-14-10-19(11-15-21)23(26)25-16-6-4-5-7-22(25)18-8-12-20(29-3)13-9-18/h8-15,17,22,24H,4-7,16H2,1-3H3/t22-/m1/s1
InChIKeyAIAYAICUGPVYED-JOCHJYFZSA-N
MW430.57 g/mol
LogP4.14
Rot. Bonds6

About 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 26996046) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID26996046
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc([C@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17(2)24-30(27,28)21-14-10-19(11-15-21)23(26)25-16-6-4-5-7-22(25)18-8-12-20(29-3)13-9-18/h8-15,17,22,24H,4-7,16H2,1-3H3/t22-/m1/s1
InChIKeyAIAYAICUGPVYED-JOCHJYFZSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide 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-[[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]sulfonylamino]acetamide
CID 45281368
4-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 55898009
N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31797117
5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylbenzenesulfonamide
CID 78825743
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9361971
N-[5-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 51933466
1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46637926
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
4-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 51160909
N-propan-2-yl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 52504192
[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 25433626

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 26996046) is 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is AIAYAICUGPVYED-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17(2)24-30(27,28)21-14-10-19(11-15-21)23(26)25-16-6-4-5-7-22(25)18-8-12-20(29-3)13-9-18/h8-15,17,22,24H,4-7,16H2,1-3H3/t22-/m1/s1.
What are the key properties of 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 26996046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).