(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide

C16H15N3O5S — CID 43019548

IUPAC(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C16H15N3O5S/c1-11-6-8-13(10-15(11)25(17,23)24)18-16(20)9-7-12-4-2-3-5-14(12)19(21)22/h2-10H,1H3,(H,18,20)(H2,17,23,24)/b9-7+
InChIKeyQUDSNXFAHGCMFH-VQHVLOKHSA-N
MW361.38 g/mol
LogP2.20
Rot. Bonds5

About (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide

(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 43019548) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID43019548
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O
InChIInChI=1S/C16H15N3O5S/c1-11-6-8-13(10-15(11)25(17,23)24)18-16(20)9-7-12-4-2-3-5-14(12)19(21)22/h2-10H,1H3,(H,18,20)(H2,17,23,24)/b9-7+
InChIKeyQUDSNXFAHGCMFH-VQHVLOKHSA-N
XLogP2.20
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
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-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612
(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141161
(E)-3-(2,3-dimethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140940
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-3-(2,4-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140856
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
methyl 2-chloro-5-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate
CID 38236759
N-[4-(butylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 2938761
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 33307679
[2-(3,4-dimethylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2533871
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684287

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide (CID 43019548) is (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O.
What is the InChIKey of (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is QUDSNXFAHGCMFH-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-11-6-8-13(10-15(11)25(17,23)24)18-16(20)9-7-12-4-2-3-5-14(12)19(21)22/h2-10H,1H3,(H,18,20)(H2,17,23,24)/b9-7+.
What are the key properties of (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 361.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 43019548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).