N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

C20H26N2O3S2 — CID 22422631

IUPACN-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(NC1CCCCCC1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C20H26N2O3S2/c23-20(21-17-11-6-1-2-7-12-17)18(15-16-9-4-3-5-10-16)22-27(24,25)19-13-8-14-26-19/h3-5,8-10,13-14,17-18,22H,1-2,6-7,11-12,15H2,(H,21,23)
InChIKeyWUBLJMUDMBHFQI-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.48
Rot. Bonds7

About N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 22422631) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID22422631
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(NC1CCCCCC1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C20H26N2O3S2/c23-20(21-17-11-6-1-2-7-12-17)18(15-16-9-4-3-5-10-16)22-27(24,25)19-13-8-14-26-19/h3-5,8-10,13-14,17-18,22H,1-2,6-7,11-12,15H2,(H,21,23)
InChIKeyWUBLJMUDMBHFQI-UHFFFAOYSA-N
XLogP3.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide 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

(2S)-N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 124772972
(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92715878
(2S)-N-cyclohexyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646030
N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965302
N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46361169
N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
(2R)-N-cyclopentyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646029
(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92726709
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (CID 22422631) is N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is O=C(NC1CCCCCC1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is WUBLJMUDMBHFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c23-20(21-17-11-6-1-2-7-12-17)18(15-16-9-4-3-5-10-16)22-27(24,25)19-13-8-14-26-19/h3-5,8-10,13-14,17-18,22H,1-2,6-7,11-12,15H2,(H,21,23).
What are the key properties of N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 406.57 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 22422631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).