2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide

C20H21N5OS — CID 51280082

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)C(Sc1nnnn1C1CCCC1)c1ccccc1
InChIInChI=1S/C20H21N5OS/c26-19(21-16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)27-20-22-23-24-25(20)17-13-7-8-14-17/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,26)
InChIKeyIEAJLYGUOZQLFF-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.26
Rot. Bonds6

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide (PubChem CID 51280082) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide
PubChem CID51280082
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)C(Sc1nnnn1C1CCCC1)c1ccccc1
InChIInChI=1S/C20H21N5OS/c26-19(21-16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)27-20-22-23-24-25(20)17-13-7-8-14-17/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,26)
InChIKeyIEAJLYGUOZQLFF-UHFFFAOYSA-N
XLogP4.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645368
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645485
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46645490
(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 9207001
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 9208040
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,2-diphenylacetamide
CID 55779290
(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 95347603
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 41095349
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N,2-diphenylacetamide
CID 16604123
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide
CID 51258543
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437973

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide (CID 51280082) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide is O=C(Nc1ccccc1)C(Sc1nnnn1C1CCCC1)c1ccccc1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide?
The InChIKey is IEAJLYGUOZQLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-19(21-16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)27-20-22-23-24-25(20)17-13-7-8-14-17/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,26).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide has a molecular weight of 379.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide is sourced from PubChem (CID 51280082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).