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

C22H25N3O5S — CID 22918872

IUPAC(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc([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/b16-9+
InChIKeyTXGXBPHIBDCLHP-CXUHLZMHSA-N
MW443.53 g/mol
LogP3.88
Rot. Bonds7

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

(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 22918872) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
PubChem CID22918872
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc([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/b16-9+
InChIKeyTXGXBPHIBDCLHP-CXUHLZMHSA-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'}

Analyze (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(4-nitrophenyl)methyl]anilino]acetamide
CID 513424
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
(E)-2-cyano-3-(4-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 5765787
N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-benzenesulfonyl)ureido-benzenesulfonyl)-amino]-acetamide
CID 11757592
N-[4-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1339985
4-{5-(4-nitrophenyl)-2-oxo-3-[(4-sulfamoylphenyl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzenesulfonamide
CID 3726862
3-[4-(Benzenesulfonyl-methyl-amino)-phenyl]-N-hydroxy-acrylamide
CID 5353769
N-hydroxy-3-[1-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
CID 11430672
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 15049733
CID 118467043
CID 118467043
(E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 891140
N-(4-{[benzyl(phenyl)amino]sulfonyl}phenyl)acetamide
CID 991947

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide (CID 22918872) is (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide is CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is TXGXBPHIBDCLHP-CXUHLZMHSA-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/b16-9+.
What are the key properties of (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide?
(E)-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 (E)-N-[4-(cyclohexylsulfamoyl)phenyl]-N-methyl-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 22918872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).