N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide

C22H22N2O4S — CID 78840747

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-15-8-9-18(14-20(15)29(23,26)27)22(25)24-21(16-6-4-3-5-7-16)17-10-12-19(28-2)13-11-17/h3-14,21H,1-2H3,(H,24,25)(H2,23,26,27)
InChIKeyPPPOKBWOQAEJDZ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.17
Rot. Bonds6

About N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide

N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide (PubChem CID 78840747) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
PubChem CID78840747
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-15-8-9-18(14-20(15)29(23,26)27)22(25)24-21(16-6-4-3-5-7-16)17-10-12-19(28-2)13-11-17/h3-14,21H,1-2H3,(H,24,25)(H2,23,26,27)
InChIKeyPPPOKBWOQAEJDZ-UHFFFAOYSA-N
XLogP3.17
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide
CID 78841975
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24649003
N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16600285
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(4-methoxyphenyl)-phenylmethyl]-3-(propanoylamino)benzamide
CID 55824777
4-methoxy-3-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100771245

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide (CID 78840747) is N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide is COc1ccc(C(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide?
The InChIKey is PPPOKBWOQAEJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15-8-9-18(14-20(15)29(23,26)27)22(25)24-21(16-6-4-3-5-7-16)17-10-12-19(28-2)13-11-17/h3-14,21H,1-2H3,(H,24,25)(H2,23,26,27).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide?
N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide has a molecular weight of 410.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 78840747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).