2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide

C24H28ClN3O3S — CID 55830537

IUPAC2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C24H28ClN3O3S/c1-16-14-20(26-23(30)18-8-4-5-9-19(18)25)32-22(16)24(31)28-12-10-27(11-13-28)21(29)15-17-6-2-3-7-17/h4-5,8-9,14,17H,2-3,6-7,10-13,15H2,1H3,(H,26,30)
InChIKeyHBBMBJBZNTUVGW-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.83
Rot. Bonds5

About 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide

2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide (PubChem CID 55830537) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
PubChem CID55830537
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C24H28ClN3O3S/c1-16-14-20(26-23(30)18-8-4-5-9-19(18)25)32-22(16)24(31)28-12-10-27(11-13-28)21(29)15-17-6-2-3-7-17/h4-5,8-9,14,17H,2-3,6-7,10-13,15H2,1H3,(H,26,30)
InChIKeyHBBMBJBZNTUVGW-UHFFFAOYSA-N
XLogP4.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
CID 55844141
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
2-chloro-N-[5-(2-cyclobutylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]benzamide
CID 86887232
2-chloro-N-[5-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55966945
2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55734096
2-chloro-N-[4-methyl-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55820854
N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide
CID 119374606
methyl 1-[5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55870701
2-chloro-N-[5-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 86960916
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55734581
2-chloro-4-fluoro-N-[4-methyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55921870
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide (CID 55830537) is 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide?
The InChIKey is HBBMBJBZNTUVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-16-14-20(26-23(30)18-8-4-5-9-19(18)25)32-22(16)24(31)28-12-10-27(11-13-28)21(29)15-17-6-2-3-7-17/h4-5,8-9,14,17H,2-3,6-7,10-13,15H2,1H3,(H,26,30).
What are the key properties of 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide?
2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide has a molecular weight of 474.03 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide is sourced from PubChem (CID 55830537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).