N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

C21H22N6O2S — CID 2621097

IUPACN-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H22N6O2S/c28-19(14-30-21-24-25-26-27(21)16-10-2-1-3-11-16)23-18-13-7-6-12-17(18)20(29)22-15-8-4-5-9-15/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,22,29)(H,23,28)
InChIKeyXDIRVCZXZLCGEI-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.07
Rot. Bonds7

About N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (PubChem CID 2621097) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
PubChem CID2621097
Molecular FormulaC21H22N6O2S
Molecular Weight422.51 g/mol
Exact Mass422.15
IUPAC NameN-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H22N6O2S/c28-19(14-30-21-24-25-26-27(21)16-10-2-1-3-11-16)23-18-13-7-6-12-17(18)20(29)22-15-8-4-5-9-15/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,22,29)(H,23,28)
InChIKeyXDIRVCZXZLCGEI-UHFFFAOYSA-N
XLogP3.07
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide
CID 16535735
potassium 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 44889777
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopentyl-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 8724224
2-[[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropylbenzamide
CID 42411741
2-[[2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
CID 18874200
N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16537065
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
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
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide (CID 2621097) is N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is XDIRVCZXZLCGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S/c28-19(14-30-21-24-25-26-27(21)16-10-2-1-3-11-16)23-18-13-7-6-12-17(18)20(29)22-15-8-4-5-9-15/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,22,29)(H,23,28).
What are the key properties of N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide?
N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 422.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 2621097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).