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

C27H40N2O2S — CID 155696986

IUPACethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide
SMILESCC.CCCC1CC(CC)CC(C)(c2ccc(NS(=O)c3ccc(NC=O)cc3)cc2)C1
InChIInChI=1S/C25H34N2O2S.C2H6/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;1-2/h7-14,18-20,27H,4-6,15-17H2,1-3H3,(H,26,28);1-2H3
InChIKeyRZXRGYLZPFVGRZ-UHFFFAOYSA-N
MW456.70 g/mol
LogP7.30
Rot. Bonds9

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

ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide (PubChem CID 155696986) has the molecular formula C27H40N2O2S and a molecular weight of 456.70 g/mol. Its IUPAC name is ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide.

Molecular Properties

Compound Nameethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide
PubChem CID155696986
Molecular FormulaC27H40N2O2S
Molecular Weight456.70 g/mol
Exact Mass456.28
IUPAC Nameethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide
SMILESCC.CCCC1CC(CC)CC(C)(c2ccc(NS(=O)c3ccc(NC=O)cc3)cc2)C1
InChIInChI=1S/C25H34N2O2S.C2H6/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;1-2/h7-14,18-20,27H,4-6,15-17H2,1-3H3,(H,26,28);1-2H3
InChIKeyRZXRGYLZPFVGRZ-UHFFFAOYSA-N
XLogP7.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.70
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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 ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide?
The IUPAC name of ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide (CID 155696986) is ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide.
What is the SMILES notation for ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide?
The canonical SMILES for ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide is CC.CCCC1CC(CC)CC(C)(c2ccc(NS(=O)c3ccc(NC=O)cc3)cc2)C1.
What is the InChIKey of ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide?
The InChIKey is RZXRGYLZPFVGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S.C2H6/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;1-2/h7-14,18-20,27H,4-6,15-17H2,1-3H3,(H,26,28);1-2H3.
What are the key properties of ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide?
ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide has a molecular weight of 456.70 g/mol, XLogP of 7.30, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[4-(3-ethyl-1-methyl-5-propylcyclohexyl)phenyl]sulfinamoylphenyl]formamide is sourced from PubChem (CID 155696986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).