2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

C19H25N5O2S2 — CID 8878950

IUPAC2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1
InChIInChI=1S/C19H25N5O2S2/c1-12-5-2-3-6-14(12)20-18(26)21-16(25)11-28-19-23-22-17(15-7-4-10-27-15)24(19)13-8-9-13/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3,(H2,20,21,25,26)/t12-,14+/m0/s1
InChIKeyIJSPGDYSXDDILU-GXTWGEPZSA-N
MW419.58 g/mol
LogP3.84
Rot. Bonds6

About 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 8878950) has the molecular formula C19H25N5O2S2 and a molecular weight of 419.58 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID8878950
Molecular FormulaC19H25N5O2S2
Molecular Weight419.58 g/mol
Exact Mass419.14
IUPAC Name2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1
InChIInChI=1S/C19H25N5O2S2/c1-12-5-2-3-6-14(12)20-18(26)21-16(25)11-28-19-23-22-17(15-7-4-10-27-15)24(19)13-8-9-13/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3,(H2,20,21,25,26)/t12-,14+/m0/s1
InChIKeyIJSPGDYSXDDILU-GXTWGEPZSA-N
XLogP3.84
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide with MolForge

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Related Compounds

2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8878952
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 7649164
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)acetamide
CID 9383077
N-tert-butyl-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7649065
2-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methylacetamide
CID 8644872
N-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55385660
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 8878762
(2R)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11934518
2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8917114
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8878756
N-(5-chloro-2-pyridinyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7649077
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27620977

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (CID 8878950) is 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1.
What is the InChIKey of 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is IJSPGDYSXDDILU-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H25N5O2S2/c1-12-5-2-3-6-14(12)20-18(26)21-16(25)11-28-19-23-22-17(15-7-4-10-27-15)24(19)13-8-9-13/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3,(H2,20,21,25,26)/t12-,14+/m0/s1.
What are the key properties of 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 419.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 8878950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).