N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H21N5O2S — CID 2081638

IUPACN-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C17H21N5O2S/c18-16(24)19-14(23)11-25-17-20-15(12-7-3-1-4-8-12)22(21-17)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,18,19,23,24)
InChIKeyLQNOWAJIMKMIHH-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.60
Rot. Bonds5

About N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2081638) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2081638
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C17H21N5O2S/c18-16(24)19-14(23)11-25-17-20-15(12-7-3-1-4-8-12)22(21-17)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,18,19,23,24)
InChIKeyLQNOWAJIMKMIHH-UHFFFAOYSA-N
XLogP2.60
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-Phenyl-2-(5-phenyl-2H-(1,2,4)triazol-3-ylsulfanyl)-acetamide
CID 684474
3-{2-[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1-(2-methylcyclohexyl)urea
CID 134817254
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 728570
2-((5-Methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)-N-phenylacetamide
CID 865210
2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 7862578
N-(2-iodophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073593
N-(3-Amino-phenyl)-2-(5-methyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 859409
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 969724
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 2096590
2-{[5-benzyl-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
CID 2194313
2-(4,5-Dimethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-p-tolyl-propionamide
CID 3142728
2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 1130285

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2081638) is N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is NC(=O)NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1.
What is the InChIKey of N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is LQNOWAJIMKMIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c18-16(24)19-14(23)11-25-17-20-15(12-7-3-1-4-8-12)22(21-17)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,18,19,23,24).
What are the key properties of N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 359.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2081638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).