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

C22H18N4OS — CID 51362394

IUPACN,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N4OS/c27-21(16-28-22-23-17-25(24-22)18-10-4-1-5-11-18)26(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyVZHRCIQVXUOBBT-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.72
Rot. Bonds6

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

N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 51362394) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID51362394
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC NameN,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N4OS/c27-21(16-28-22-23-17-25(24-22)18-10-4-1-5-11-18)26(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyVZHRCIQVXUOBBT-UHFFFAOYSA-N
XLogP4.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55868329
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 2952889
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16587159
N-tert-butyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16587154
N-(2,6-dimethylphenyl)-2-[methyl-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 42294980
N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134421
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18141196
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134437
N-(2-phenylpropyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134423
2-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 134095383
N-methyl-N-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 18134411
N-[4-(difluoromethoxy)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294890

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 51362394) is N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1ncn(-c2ccccc2)n1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is VZHRCIQVXUOBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-21(16-28-22-23-17-25(24-22)18-10-4-1-5-11-18)26(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H,16H2.
What are the key properties of N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 51362394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).