N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide

C23H23N3O5S — CID 55637435

IUPACN-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H23N3O5S/c1-26(16-22(27)24-18-8-4-3-5-9-18)23(28)17-12-14-19(15-13-17)32(29,30)25-20-10-6-7-11-21(20)31-2/h3-15,25H,16H2,1-2H3,(H,24,27)
InChIKeyCYPBTPIFPXCSLR-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.21
Rot. Bonds8

About N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide

N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 55637435) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID55637435
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H23N3O5S/c1-26(16-22(27)24-18-8-4-3-5-9-18)23(28)17-12-14-19(15-13-17)32(29,30)25-20-10-6-7-11-21(20)31-2/h3-15,25H,16H2,1-2H3,(H,24,27)
InChIKeyCYPBTPIFPXCSLR-UHFFFAOYSA-N
XLogP3.21
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 43057461
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
4-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619424
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129
N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26622481
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 56547990
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9305406
1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 1295236
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide (CID 55637435) is N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is CYPBTPIFPXCSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-26(16-22(27)24-18-8-4-3-5-9-18)23(28)17-12-14-19(15-13-17)32(29,30)25-20-10-6-7-11-21(20)31-2/h3-15,25H,16H2,1-2H3,(H,24,27).
What are the key properties of N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 453.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 55637435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).