N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide

C22H25N5O3S2 — CID 170760740

IUPACN-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide
SMILESCn1nnnc1Sc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H25N5O3S2/c1-27-22(24-25-26-27)31-20-13-12-18(32(2,29)30)14-19(20)21(28)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,23,28)
InChIKeyRGIRAXVJPGEIJI-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.06
Rot. Bonds6

About N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide

N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide (PubChem CID 170760740) has the molecular formula C22H25N5O3S2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide
PubChem CID170760740
Molecular FormulaC22H25N5O3S2
Molecular Weight471.61 g/mol
Exact Mass471.14
IUPAC NameN-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide
SMILESCn1nnnc1Sc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H25N5O3S2/c1-27-22(24-25-26-27)31-20-13-12-18(32(2,29)30)14-19(20)21(28)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,23,28)
InChIKeyRGIRAXVJPGEIJI-UHFFFAOYSA-N
XLogP4.06
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyclohexylphenyl)-2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanyl-5-nitrobenzamide
CID 170760823
N-(4-cyclopentylphenyl)-2-[(1-methyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-5-(trifluoromethylsulfonyl)benzamide
CID 170761741
N-[4-(1-methylcyclohexyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide
CID 170761395
2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 170761664
2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 170760809
N-(4-cyclohexylphenyl)-N-(2-hydroxyethyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide
CID 170760797
N-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide
CID 170761229
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
N-[4-(2,5-dimethylpyrazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide
CID 170761821
N-(4-imidazol-1-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide
CID 170761844
N-(3-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide
CID 170760850
2-[1-(2-aminoethyl)tetrazol-5-yl]sulfanyl-N-(5-cyclopentyl-3-fluoro-2-pyridinyl)-5-nitrobenzamide
CID 170760752

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide?
The IUPAC name of N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide (CID 170760740) is N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide is Cn1nnnc1Sc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide?
The InChIKey is RGIRAXVJPGEIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S2/c1-27-22(24-25-26-27)31-20-13-12-18(32(2,29)30)14-19(20)21(28)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,23,28).
What are the key properties of N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide?
N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide has a molecular weight of 471.61 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-5-methylsulfonyl-2-(1-methyltetrazol-5-yl)sulfanylbenzamide is sourced from PubChem (CID 170760740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).