N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide

C25H34N2O2S — CID 155696987

IUPACN-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide
SMILESCCCC1CC(CC)CC(C)(c2ccc(NS(=O)c3ccc(NC=O)cc3)cc2)C1
InChIInChI=1S/C25H34N2O2S/c1-4-6-20-15-19(5-2)16-25(3,17-20)21-7-9-23(10-8-21)27-30(29)24-13-11-22(12-14-24)26-18-28/h7-14,18-20,27H,4-6,15-17H2,1-3H3,(H,26,28)
InChIKeyFTCCFYIKGRGJSW-UHFFFAOYSA-N
MW426.63 g/mol
LogP6.27
Rot. Bonds9

About N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide

N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide (PubChem CID 155696987) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide.

Molecular Properties

Compound NameN-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide
PubChem CID155696987
Molecular FormulaC25H34N2O2S
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC NameN-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide
SMILESCCCC1CC(CC)CC(C)(c2ccc(NS(=O)c3ccc(NC=O)cc3)cc2)C1
InChIInChI=1S/C25H34N2O2S/c1-4-6-20-15-19(5-2)16-25(3,17-20)21-7-9-23(10-8-21)27-30(29)24-13-11-22(12-14-24)26-18-28/h7-14,18-20,27H,4-6,15-17H2,1-3H3,(H,26,28)
InChIKeyFTCCFYIKGRGJSW-UHFFFAOYSA-N
XLogP6.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide 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

4-(3-(4-Isopropylphenyl)ureido)benzenesulfonamide
CID 17268490
N-(4-(2-amino-2-methylpropyl)phenyl)-4-(3-benzylureido)benzenesulfonamide
CID 46882236
N-benzyl-4-(formylamino)benzenesulfonamide
CID 888833
N-(4-(3-aminopropyl)phenyl)-4-(3-hexylureido)benzenesulfonamide
CID 46882103
N-(4-(3-amino-3-methylbutyl)phenyl)-4-(3-hexylureido)benzenesulfonamide
CID 46882104
N-(4-(3-amino-2,2-dimethylpropyl)phenyl)-4-(3-hexylureido)benzenesulfonamide
CID 46882105
N-(4-(2-amino-2-methylpropyl)phenyl)-4-(3-pentylureido)benzenesulfonamide
CID 46882197
N-(4-(2-amino-2-methylpropyl)phenyl)-4-(3-heptylureido)benzenesulfonamide
CID 46882198
N-(4-(2-amino-2-methylpropyl)phenyl)-4-(3-phenethylureido)benzenesulfonamide
CID 46882237
N-(4-(2-amino-2-methylpropyl)phenyl)-4-(3-(4-isopropylphenyl)ureido)benzenesulfonamide
CID 46882272
N-(4-(2-amino-2-methylpropyl)phenyl)-4-(3-(4-butylphenyl)ureido)benzenesulfonamide
CID 46882273
N-(4-(2-amino-2-methylpropyl)phenyl)-4-(3-(4-tert-butylphenyl)ureido)benzenesulfonamide
CID 46882305

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide?
The IUPAC name of N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide (CID 155696987) is N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide.
What is the SMILES notation for N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide?
The canonical SMILES for N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide is CCCC1CC(CC)CC(C)(c2ccc(NS(=O)c3ccc(NC=O)cc3)cc2)C1.
What is the InChIKey of N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide?
The InChIKey is FTCCFYIKGRGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-4-6-20-15-19(5-2)16-25(3,17-20)21-7-9-23(10-8-21)27-30(29)24-13-11-22(12-14-24)26-18-28/h7-14,18-20,27H,4-6,15-17H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide?
N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide has a molecular weight of 426.63 g/mol, XLogP of 6.27, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide is sourced from PubChem (CID 155696987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).