N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide

C19H22N4O2S — CID 33367022

IUPACN-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2c(S[C@H]3CCCCC3=O)nnc2C2CC2)c1
InChIInChI=1S/C19H22N4O2S/c1-12(24)20-14-5-4-6-15(11-14)23-18(13-9-10-13)21-22-19(23)26-17-8-3-2-7-16(17)25/h4-6,11,13,17H,2-3,7-10H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyLDDBMZCXNQRPLY-KRWDZBQOSA-N
MW370.48 g/mol
LogP3.71
Rot. Bonds5

About N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide

N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide (PubChem CID 33367022) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide
PubChem CID33367022
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2c(S[C@H]3CCCCC3=O)nnc2C2CC2)c1
InChIInChI=1S/C19H22N4O2S/c1-12(24)20-14-5-4-6-15(11-14)23-18(13-9-10-13)21-22-19(23)26-17-8-3-2-7-16(17)25/h4-6,11,13,17H,2-3,7-10H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyLDDBMZCXNQRPLY-KRWDZBQOSA-N
XLogP3.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide with MolForge

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Related Compounds

N-[3-[3-cyclopropyl-5-(2-oxo-1-phenylpiperidin-3-yl)sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide
CID 86953937
N-[3-(3-cyclopropyl-5-propan-2-ylsulfanyl-1,2,4-triazol-4-yl)phenyl]acetamide
CID 33377214
2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 33367434
N-[3-[3-cyclopropyl-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]acetamide
CID 30863025
2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 33368816
2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 33372841
N-[3-[3-cyclopropyl-5-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide
CID 33373122
4-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
CID 46594011
N-[3-[3-cyclopropyl-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 33375180
2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 46594038
2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-bis(prop-2-enyl)acetamide
CID 33368720
3-[[2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methylbenzamide
CID 30862925

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide (CID 33367022) is N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2c(S[C@H]3CCCCC3=O)nnc2C2CC2)c1.
What is the InChIKey of N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide?
The InChIKey is LDDBMZCXNQRPLY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(24)20-14-5-4-6-15(11-14)23-18(13-9-10-13)21-22-19(23)26-17-8-3-2-7-16(17)25/h4-6,11,13,17H,2-3,7-10H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide?
N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-cyclopropyl-5-[(1S)-2-oxocyclohexyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 33367022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).