N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide

C23H24N2O4S — CID 46433416

IUPACN-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide
SMILESCCOc1ccc(C(NC(=O)c2cc(S(N)(=O)=O)ccc2C)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-3-29-19-12-10-18(11-13-19)22(17-7-5-4-6-8-17)25-23(26)21-15-20(30(24,27)28)14-9-16(21)2/h4-15,22H,3H2,1-2H3,(H,25,26)(H2,24,27,28)
InChIKeyGBNFHJHIXJJNGL-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.56
Rot. Bonds7

About N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide

N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide (PubChem CID 46433416) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide
PubChem CID46433416
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide
SMILESCCOc1ccc(C(NC(=O)c2cc(S(N)(=O)=O)ccc2C)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-3-29-19-12-10-18(11-13-19)22(17-7-5-4-6-8-17)25-23(26)21-15-20(30(24,27)28)14-9-16(21)2/h4-15,22H,3H2,1-2H3,(H,25,26)(H2,24,27,28)
InChIKeyGBNFHJHIXJJNGL-UHFFFAOYSA-N
XLogP3.56
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
CID 27782394
N-[(2R)-2-methoxy-2-phenylethyl]-2-methyl-5-sulfamoylbenzamide
CID 94815936
N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide
CID 51097768
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 46433526
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
CID 78840747
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide (CID 46433416) is N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide is CCOc1ccc(C(NC(=O)c2cc(S(N)(=O)=O)ccc2C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide?
The InChIKey is GBNFHJHIXJJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-3-29-19-12-10-18(11-13-19)22(17-7-5-4-6-8-17)25-23(26)21-15-20(30(24,27)28)14-9-16(21)2/h4-15,22H,3H2,1-2H3,(H,25,26)(H2,24,27,28).
What are the key properties of N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide?
N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide has a molecular weight of 424.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 46433416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).