N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C17H23N5OS — CID 51048716

IUPACN-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCSc1cccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)c1
InChIInChI=1S/C17H23N5OS/c1-24-15-7-5-6-14(10-15)19-16(23)11-17(8-3-2-4-9-17)12-22-13-18-20-21-22/h5-7,10,13H,2-4,8-9,11-12H2,1H3,(H,19,23)
InChIKeyDRLKDPNUAIPTPY-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.37
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 51048716) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID51048716
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCSc1cccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)c1
InChIInChI=1S/C17H23N5OS/c1-24-15-7-5-6-14(10-15)19-16(23)11-17(8-3-2-4-9-17)12-22-13-18-20-21-22/h5-7,10,13H,2-4,8-9,11-12H2,1H3,(H,19,23)
InChIKeyDRLKDPNUAIPTPY-UHFFFAOYSA-N
XLogP3.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51049242
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 121239339
N-(2,5-dimethoxyphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048991
4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide
CID 166335317
[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81410870
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 71709629
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431018
1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea
CID 72860999
2-(azocan-1-ium-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 8583796
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 51048716) is N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is CSc1cccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is DRLKDPNUAIPTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-24-15-7-5-6-14(10-15)19-16(23)11-17(8-3-2-4-9-17)12-22-13-18-20-21-22/h5-7,10,13H,2-4,8-9,11-12H2,1H3,(H,19,23).
What are the key properties of N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 51048716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).