N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide

C20H23N3O4S — CID 8966476

IUPACN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)c1
InChIInChI=1S/C20H23N3O4S/c1-4-12-22-28(26,27)18-7-5-6-17(13-18)20(25)23(3)14-15-8-10-16(11-9-15)19(24)21-2/h4-11,13,22H,1,12,14H2,2-3H3,(H,21,24)
InChIKeyCJEKPWJZFWTDSB-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.78
Rot. Bonds8

About N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 8966476) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID8966476
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)c1
InChIInChI=1S/C20H23N3O4S/c1-4-12-22-28(26,27)18-7-5-6-17(13-18)20(25)23(3)14-15-8-10-16(11-9-15)19(24)21-2/h4-11,13,22H,1,12,14H2,2-3H3,(H,21,24)
InChIKeyCJEKPWJZFWTDSB-UHFFFAOYSA-N
XLogP1.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 31542031
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24545003
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 31661125
3-(benzenesulfonamido)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38745291
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26722152
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 8967371
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551386
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 8966476) is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)c1.
What is the InChIKey of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is CJEKPWJZFWTDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-12-22-28(26,27)18-7-5-6-17(13-18)20(25)23(3)14-15-8-10-16(11-9-15)19(24)21-2/h4-11,13,22H,1,12,14H2,2-3H3,(H,21,24).
What are the key properties of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 401.49 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 8966476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).