N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide

C16H19N5O2S — CID 7784903

IUPACN-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C16H19N5O2S/c22-14(9-24-16-17-10-18-21-16)20-13-8-4-3-7-12(13)15(23)19-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,19,23)(H,20,22)(H,17,18,21)
InChIKeyAJLSBAGRELLRMQ-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.21
Rot. Bonds6

About N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide

N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 7784903) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
PubChem CID7784903
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C16H19N5O2S/c22-14(9-24-16-17-10-18-21-16)20-13-8-4-3-7-12(13)15(23)19-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,19,23)(H,20,22)(H,17,18,21)
InChIKeyAJLSBAGRELLRMQ-UHFFFAOYSA-N
XLogP2.21
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 7820287
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopentyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 7889162
N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16537065
N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2621097
2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 704548
2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide
CID 55764860
N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16610863
N-cyclopentyl-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 8724224
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 8583632
N-cyclopentyl-2-[[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 112782864

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide (CID 7784903) is N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide is O=C(CSc1ncn[nH]1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is AJLSBAGRELLRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-14(9-24-16-17-10-18-21-16)20-13-8-4-3-7-12(13)15(23)19-11-5-1-2-6-11/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,19,23)(H,20,22)(H,17,18,21).
What are the key properties of N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 345.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 7784903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).