(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide

C23H27N3O5S — CID 15049733

IUPAC(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H27N3O5S/c1-25(23(27)17-10-18-8-11-21(12-9-18)26(28)29)20-13-15-22(16-14-20)32(30,31)24-19-6-4-2-3-5-7-19/h8-17,19,24H,2-7H2,1H3/b17-10+
InChIKeyKRUTXJLIGCXCJV-LICLKQGHSA-N
MW457.55 g/mol
LogP4.27
Rot. Bonds7

About (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 15049733) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
PubChem CID15049733
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H27N3O5S/c1-25(23(27)17-10-18-8-11-21(12-9-18)26(28)29)20-13-15-22(16-14-20)32(30,31)24-19-6-4-2-3-5-7-19/h8-17,19,24H,2-7H2,1H3/b17-10+
InChIKeyKRUTXJLIGCXCJV-LICLKQGHSA-N
XLogP4.27
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.27
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

N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 54338538
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 54561382
N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 67812240
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-4-phenylbut-2-enamide
CID 19603988
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
N-(azocan-5-yl)-4-nitrobenzenesulfonamide
CID 165494154
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylprop-2-enamide
CID 39288139
(E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-3-(4-cyanophenyl)-N-methylprop-2-enamide;hydrochloride
CID 22918930
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 3456876
(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
CID 19164284
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
N-cyclopentyl-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164497

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide (CID 15049733) is (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide is CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is KRUTXJLIGCXCJV-LICLKQGHSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-25(23(27)17-10-18-8-11-21(12-9-18)26(28)29)20-13-15-22(16-14-20)32(30,31)24-19-6-4-2-3-5-7-19/h8-17,19,24H,2-7H2,1H3/b17-10+.
What are the key properties of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 457.55 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 15049733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).