N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide

C20H24ClN3O2S — CID 16932602

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
SMILESO=C(NCC(c1ccsc1)N1CCCCCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H24ClN3O2S/c21-16-7-3-4-8-17(16)23-20(26)19(25)22-13-18(15-9-12-27-14-15)24-10-5-1-2-6-11-24/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H,22,25)(H,23,26)
InChIKeyCSSQHNFTRYRKOA-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide (PubChem CID 16932602) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
PubChem CID16932602
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
SMILESO=C(NCC(c1ccsc1)N1CCCCCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H24ClN3O2S/c21-16-7-3-4-8-17(16)23-20(26)19(25)22-13-18(15-9-12-27-14-15)24-10-5-1-2-6-11-24/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H,22,25)(H,23,26)
InChIKeyCSSQHNFTRYRKOA-UHFFFAOYSA-N
XLogP4.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide 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

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 16932603
N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932218
N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848858
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16932538
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,4-difluorophenyl)oxamide
CID 16932562
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 16932607
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N'-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-[(4-chlorophenyl)methyl]oxamide
CID 40857959
N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848792
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40858311
N'-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 16932556
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
CID 124761077

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide (CID 16932602) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide is O=C(NCC(c1ccsc1)N1CCCCCC1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide?
The InChIKey is CSSQHNFTRYRKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c21-16-7-3-4-8-17(16)23-20(26)19(25)22-13-18(15-9-12-27-14-15)24-10-5-1-2-6-11-24/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide has a molecular weight of 405.95 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide is sourced from PubChem (CID 16932602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).