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

C22H25N3O5S — CID 54338538

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
SMILESCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H25N3O5S/c1-24(22(26)16-9-17-7-10-20(11-8-17)25(27)28)19-12-14-21(15-13-19)31(29,30)23-18-5-3-2-4-6-18/h7-16,18,23H,2-6H2,1H3
InChIKeyTXGXBPHIBDCLHP-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.88
Rot. Bonds7

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

N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 54338538) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
PubChem CID54338538
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
SMILESCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H25N3O5S/c1-24(22(26)16-9-17-7-10-20(11-8-17)25(27)28)19-12-14-21(15-13-19)31(29,30)23-18-5-3-2-4-6-18/h7-16,18,23H,2-6H2,1H3
InChIKeyTXGXBPHIBDCLHP-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 15049733
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 N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide (CID 54338538) is N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide is CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is TXGXBPHIBDCLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-24(22(26)16-9-17-7-10-20(11-8-17)25(27)28)19-12-14-21(15-13-19)31(29,30)23-18-5-3-2-4-6-18/h7-16,18,23H,2-6H2,1H3.
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 443.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 54338538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).