N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C15H23N5O2S — CID 4032879

IUPACN-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC=CCn1c(SC(C)C(=O)NC(N)=O)nnc1C1CCCCC1
InChIInChI=1S/C15H23N5O2S/c1-3-9-20-12(11-7-5-4-6-8-11)18-19-15(20)23-10(2)13(21)17-14(16)22/h3,10-11H,1,4-9H2,2H3,(H3,16,17,21,22)
InChIKeyYJXYVVWMTNFYND-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.19
Rot. Bonds6

About N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 4032879) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID4032879
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC=CCn1c(SC(C)C(=O)NC(N)=O)nnc1C1CCCCC1
InChIInChI=1S/C15H23N5O2S/c1-3-9-20-12(11-7-5-4-6-8-11)18-19-15(20)23-10(2)13(21)17-14(16)22/h3,10-11H,1,4-9H2,2H3,(H3,16,17,21,22)
InChIKeyYJXYVVWMTNFYND-UHFFFAOYSA-N
XLogP2.19
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6466121
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 2998137
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 9551890
N-cyclohexyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2603096
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 2997597
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 2603053
2-(5-Cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetamide
CID 2603072
2-[(5-Cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 3585829
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide
CID 4680050
2-[[5-(2-Cyclohexylethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6464612
N-(tert-butylcarbamoyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2403013
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 2603084

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 4032879) is N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is C=CCn1c(SC(C)C(=O)NC(N)=O)nnc1C1CCCCC1.
What is the InChIKey of N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is YJXYVVWMTNFYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-3-9-20-12(11-7-5-4-6-8-11)18-19-15(20)23-10(2)13(21)17-14(16)22/h3,10-11H,1,4-9H2,2H3,(H3,16,17,21,22).
What are the key properties of N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N-carbamoyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 337.45 g/mol, XLogP of 2.19, 6 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-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 4032879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).