N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide

C19H22N4O5S — CID 55898534

IUPACN-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N4O5S/c1-4-11-22(3)29(27,28)16-8-6-15(7-9-16)20-13-19(24)21-17-10-5-14(2)12-18(17)23(25)26/h4-10,12,20H,1,11,13H2,2-3H3,(H,21,24)
InChIKeyRXJAMLUFPQTTST-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.76
Rot. Bonds9

About N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide

N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide (PubChem CID 55898534) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
PubChem CID55898534
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N4O5S/c1-4-11-22(3)29(27,28)16-8-6-15(7-9-16)20-13-19(24)21-17-10-5-14(2)12-18(17)23(25)26/h4-10,12,20H,1,11,13H2,2-3H3,(H,21,24)
InChIKeyRXJAMLUFPQTTST-UHFFFAOYSA-N
XLogP2.76
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

ethyl (E)-3-[4-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]amino]phenyl]prop-2-enoate
CID 33168693
4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide
CID 52703798
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
CID 60536570
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
N-[4-methyl-3-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 55897358
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
2-(4-bromoanilino)-N-(4-chloro-2-nitrophenyl)acetamide
CID 7492495
1-[(2R)-1-hydroxypropan-2-yl]-3-[4-[methyl(prop-2-enyl)sulfamoyl]phenyl]urea
CID 94756092

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide (CID 55898534) is N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide is C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide?
The InChIKey is RXJAMLUFPQTTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-4-11-22(3)29(27,28)16-8-6-15(7-9-16)20-13-19(24)21-17-10-5-14(2)12-18(17)23(25)26/h4-10,12,20H,1,11,13H2,2-3H3,(H,21,24).
What are the key properties of N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide?
N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide has a molecular weight of 418.48 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide is sourced from PubChem (CID 55898534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).