2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C19H29N3O3S — CID 1152663

IUPAC2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O3S/c23-19(16-21-12-4-1-2-5-13-21)20-17-8-10-18(11-9-17)26(24,25)22-14-6-3-7-15-22/h8-11H,1-7,12-16H2,(H,20,23)
InChIKeyDCFANXBOWHBWJM-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.68
Rot. Bonds5

About 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1152663) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID1152663
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O3S/c23-19(16-21-12-4-1-2-5-13-21)20-17-8-10-18(11-9-17)26(24,25)22-14-6-3-7-15-22/h8-11H,1-7,12-16H2,(H,20,23)
InChIKeyDCFANXBOWHBWJM-UHFFFAOYSA-N
XLogP2.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)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

N4-Acetylsulfanilamide
CID 8482
Thaumatin
CID 1151816
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
N-(4-(pyrrolidine-1-sulfonyl)phenyl)prop-2-enamide
CID 43405474
2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
Propanamide, N-(4-aminosulfonylphenyl)-3-(4-morpholyl)-
CID 567846
N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 720658
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 1152663) is 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is DCFANXBOWHBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(16-21-12-4-1-2-5-13-21)20-17-8-10-18(11-9-17)26(24,25)22-14-6-3-7-15-22/h8-11H,1-7,12-16H2,(H,20,23).
What are the key properties of 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1152663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).