(2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C16H20N4OS — CID 51982672

IUPAC(2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(NC1CCCCC1)[C@@H](Sc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C16H20N4OS/c21-15(19-13-9-5-2-6-10-13)14(12-7-3-1-4-8-12)22-16-17-11-18-20-16/h1,3-4,7-8,11,13-14H,2,5-6,9-10H2,(H,19,21)(H,17,18,20)/t14-/m0/s1
InChIKeyZFZNCXGMWBYYNE-AWEZNQCLSA-N
MW316.43 g/mol
LogP3.09
Rot. Bonds5

About (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

(2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 51982672) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID51982672
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(NC1CCCCC1)[C@@H](Sc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C16H20N4OS/c21-15(19-13-9-5-2-6-10-13)14(12-7-3-1-4-8-12)22-16-17-11-18-20-16/h1,3-4,7-8,11,13-14H,2,5-6,9-10H2,(H,19,21)(H,17,18,20)/t14-/m0/s1
InChIKeyZFZNCXGMWBYYNE-AWEZNQCLSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 25239359
2-phenyl-N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 25251917
(2S)-N-(4-methoxyphenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 41023427
ethyl (2S)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
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N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
(2S)-N-(1-benzylpiperidin-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 124504963
N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 86207793
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
N-cyclopropyl-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134304
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 51982672) is (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(NC1CCCCC1)[C@@H](Sc1ncn[nH]1)c1ccccc1.
What is the InChIKey of (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is ZFZNCXGMWBYYNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-15(19-13-9-5-2-6-10-13)14(12-7-3-1-4-8-12)22-16-17-11-18-20-16/h1,3-4,7-8,11,13-14H,2,5-6,9-10H2,(H,19,21)(H,17,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
(2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 51982672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).