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

C22H25N3O5S — CID 6218817

IUPAC(E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H25N3O5S/c1-24(18-9-3-2-4-10-18)31(29,30)21-13-6-5-12-20(21)23-22(26)15-14-17-8-7-11-19(16-17)25(27)28/h5-8,11-16,18H,2-4,9-10H2,1H3,(H,23,26)/b15-14+
InChIKeyMEUGMELZSGWEOP-CCEZHUSRSA-N
MW443.53 g/mol
LogP4.20
Rot. Bonds7

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

(E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 6218817) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is (E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
PubChem CID6218817
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name(E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H25N3O5S/c1-24(18-9-3-2-4-10-18)31(29,30)21-13-6-5-12-20(21)23-22(26)15-14-17-8-7-11-19(16-17)25(27)28/h5-8,11-16,18H,2-4,9-10H2,1H3,(H,23,26)/b15-14+
InChIKeyMEUGMELZSGWEOP-CCEZHUSRSA-N
XLogP4.20
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 52662791
(E)-N-(2-methylsulfanylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6213183
N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4812357
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
CID 39975084
(E)-N-(4-cyclopentyloxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 46487620
(E)-N-[(1S,2R)-2-methylcyclohexyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7478919
N-(2-hydroxy-4,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3713167
(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
CID 83202528
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 26253511
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398
N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5065196
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide (CID 6218817) is (E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide is CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is MEUGMELZSGWEOP-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-24(18-9-3-2-4-10-18)31(29,30)21-13-6-5-12-20(21)23-22(26)15-14-17-8-7-11-19(16-17)25(27)28/h5-8,11-16,18H,2-4,9-10H2,1H3,(H,23,26)/b15-14+.
What are the key properties of (E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 443.53 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 6218817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).