2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide

C18H25N5OS — CID 46670710

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CSc2nnnn2C2CCCCC2)c1
InChIInChI=1S/C18H25N5OS/c1-13(2)14-7-6-8-15(11-14)19-17(24)12-25-18-20-21-22-23(18)16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,19,24)
InChIKeyIWEZRNKQWVLKNX-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.03
Rot. Bonds6

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 46670710) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
PubChem CID46670710
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CSc2nnnn2C2CCCCC2)c1
InChIInChI=1S/C18H25N5OS/c1-13(2)14-7-6-8-15(11-14)19-17(24)12-25-18-20-21-22-23(18)16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,19,24)
InChIKeyIWEZRNKQWVLKNX-UHFFFAOYSA-N
XLogP4.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 51258532
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 134004627
N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 52546923
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide
CID 60555012
2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 24579080
2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 134042023
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 24521916

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide (CID 46670710) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CSc2nnnn2C2CCCCC2)c1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is IWEZRNKQWVLKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13(2)14-7-6-8-15(11-14)19-17(24)12-25-18-20-21-22-23(18)16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,19,24).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 359.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46670710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).