N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C19H22N4OS — CID 18141196

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C19H22N4OS/c24-18(23(17-11-12-17)16-9-5-2-6-10-16)13-25-19-20-14-22(21-19)15-7-3-1-4-8-15/h1,3-4,7-9,14,17H,2,5-6,10-13H2
InChIKeyXSKPSLBKLCOJIC-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.81
Rot. Bonds6

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 18141196) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID18141196
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C19H22N4OS/c24-18(23(17-11-12-17)16-9-5-2-6-10-16)13-25-19-20-14-22(21-19)15-7-3-1-4-8-15/h1,3-4,7-9,14,17H,2,5-6,10-13H2
InChIKeyXSKPSLBKLCOJIC-UHFFFAOYSA-N
XLogP3.81
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2408253
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
6-Amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9360291
3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
CID 9619306
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 16305823
5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-4-phenyl-4H-1,2,4-triazol-3-amine
CID 980303
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3928078
N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7603409
N-cyclohexyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16338648
N-cyclohexyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2407114

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 18141196) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1ncn(-c2ccccc2)n1)N(C1=CCCCC1)C1CC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is XSKPSLBKLCOJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c24-18(23(17-11-12-17)16-9-5-2-6-10-16)13-25-19-20-14-22(21-19)15-7-3-1-4-8-15/h1,3-4,7-9,14,17H,2,5-6,10-13H2.
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 18141196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).