N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide

C22H27N3O2S — CID 9166376

IUPACN-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C22H27N3O2S/c26-21(15-25-13-5-11-19(25)20-12-6-14-28-20)24-18-10-4-3-9-17(18)22(27)23-16-7-1-2-8-16/h3-4,6,9-10,12,14,16,19H,1-2,5,7-8,11,13,15H2,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyHHGYCHXJYRFNSS-IBGZPJMESA-N
MW397.54 g/mol
LogP4.20
Rot. Bonds6

About N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide (PubChem CID 9166376) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
PubChem CID9166376
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C22H27N3O2S/c26-21(15-25-13-5-11-19(25)20-12-6-14-28-20)24-18-10-4-3-9-17(18)22(27)23-16-7-1-2-8-16/h3-4,6,9-10,12,14,16,19H,1-2,5,7-8,11,13,15H2,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyHHGYCHXJYRFNSS-IBGZPJMESA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
CID 41184047
N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9208528
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
2-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 41228935
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
N-(2,3-dimethylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446369
N-cyclopentyl-2-[[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
CID 9002644
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446245
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446247
N-cyclopropyl-2-[[2-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 78830545
N-[2,5-dimethoxy-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]phenyl]benzamide
CID 41187714

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide (CID 9166376) is N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide is O=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is HHGYCHXJYRFNSS-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O2S/c26-21(15-25-13-5-11-19(25)20-12-6-14-28-20)24-18-10-4-3-9-17(18)22(27)23-16-7-1-2-8-16/h3-4,6,9-10,12,14,16,19H,1-2,5,7-8,11,13,15H2,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 397.54 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 9166376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).