N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C18H22N6O2S — CID 7757118

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H22N6O2S/c25-16(20-17(26)19-12-11-14-7-3-1-4-8-14)13-27-18-21-22-23-24(18)15-9-5-2-6-10-15/h2,5-7,9-10H,1,3-4,8,11-13H2,(H2,19,20,25,26)
InChIKeyKCHSZSUBPAYWGA-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 7757118) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID7757118
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H22N6O2S/c25-16(20-17(26)19-12-11-14-7-3-1-4-8-14)13-27-18-21-22-23-24(18)15-9-5-2-6-10-15/h2,5-7,9-10H,1,3-4,8,11-13H2,(H2,19,20,25,26)
InChIKeyKCHSZSUBPAYWGA-UHFFFAOYSA-N
XLogP2.47
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
CID 9329985
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7674000
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7625304
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7814687
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 40659782
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8797717
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 9360238
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795172
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 28594751
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 40568364
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7801982

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 7757118) is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)NC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is KCHSZSUBPAYWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c25-16(20-17(26)19-12-11-14-7-3-1-4-8-14)13-27-18-21-22-23-24(18)15-9-5-2-6-10-15/h2,5-7,9-10H,1,3-4,8,11-13H2,(H2,19,20,25,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 386.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 7757118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).