N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide

C19H24N2OS — CID 46328262

IUPACN-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCSc1ccc(CNC(=O)C2(n3cccc3)CCCCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-23-17-9-7-16(8-10-17)15-20-18(22)19(11-3-2-4-12-19)21-13-5-6-14-21/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,20,22)
InChIKeyTXOSCCKNPNTFAZ-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.19
Rot. Bonds5

About N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide

N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide (PubChem CID 46328262) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
PubChem CID46328262
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCSc1ccc(CNC(=O)C2(n3cccc3)CCCCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-23-17-9-7-16(8-10-17)15-20-18(22)19(11-3-2-4-12-19)21-13-5-6-14-21/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,20,22)
InChIKeyTXOSCCKNPNTFAZ-UHFFFAOYSA-N
XLogP4.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide 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-ethylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328271
1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184071
N-[3-[benzyl(methyl)amino]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328251
(2R)-N-benzyl-2-methyl-1-[2-(4-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92719936
N-[(4-methylsulfanylphenyl)methyl]-2-oxoacetamide
CID 115166260
N-[(4-methylsulfanylphenyl)methyl]indole-1-carboxamide
CID 171536191
N-(pyridin-4-ylmethyl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71705084
N',3,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738483
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
(E)-N-[(4-methylsulfanylphenyl)methyl]but-2-enamide
CID 110470228
3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 47380861
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide (CID 46328262) is N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide is CSc1ccc(CNC(=O)C2(n3cccc3)CCCCC2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The InChIKey is TXOSCCKNPNTFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-23-17-9-7-16(8-10-17)15-20-18(22)19(11-3-2-4-12-19)21-13-5-6-14-21/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,20,22).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 46328262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).