(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide

C23H28N2O3S — CID 6231737

IUPAC(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O3S/c1-18-8-10-19(11-9-18)12-17-23(26)24-20-13-15-22(16-14-20)29(27,28)25(2)21-6-4-3-5-7-21/h8-17,21H,3-7H2,1-2H3,(H,24,26)/b17-12+
InChIKeySKIVCKFDGWXWTQ-SFQUDFHCSA-N
MW412.56 g/mol
LogP4.60
Rot. Bonds6

About (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 6231737) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID6231737
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O3S/c1-18-8-10-19(11-9-18)12-17-23(26)24-20-13-15-22(16-14-20)29(27,28)25(2)21-6-4-3-5-7-21/h8-17,21H,3-7H2,1-2H3,(H,24,26)/b17-12+
InChIKeySKIVCKFDGWXWTQ-SFQUDFHCSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 8781348
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9328746
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 3456876
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dimethylbenzamide
CID 52894118

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide (CID 6231737) is (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1.
What is the InChIKey of (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is SKIVCKFDGWXWTQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-18-8-10-19(11-9-18)12-17-23(26)24-20-13-15-22(16-14-20)29(27,28)25(2)21-6-4-3-5-7-21/h8-17,21H,3-7H2,1-2H3,(H,24,26)/b17-12+.
What are the key properties of (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 412.56 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 6231737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).