3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide

C24H26N2O5S — CID 55362952

IUPAC3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1OC
InChIInChI=1S/C24H26N2O5S/c1-17-7-14-21(15-8-17)32(28,29)26-20-12-10-19(11-13-20)25-23(27)16-9-18-5-4-6-22(30-2)24(18)31-3/h4-8,10-15,26H,9,16H2,1-3H3,(H,25,27)
InChIKeyCBHZTTZXLCRIIF-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.38
Rot. Bonds9

About 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide

3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide (PubChem CID 55362952) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
PubChem CID55362952
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1OC
InChIInChI=1S/C24H26N2O5S/c1-17-7-14-21(15-8-17)32(28,29)26-20-12-10-19(11-13-20)25-23(27)16-9-18-5-4-6-22(30-2)24(18)31-3/h4-8,10-15,26H,9,16H2,1-3H3,(H,25,27)
InChIKeyCBHZTTZXLCRIIF-UHFFFAOYSA-N
XLogP4.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254823
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 100789389
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9427530
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
CID 112983555
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 24589039
3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474792
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide (CID 55362952) is 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide is COc1cccc(CCC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
The InChIKey is CBHZTTZXLCRIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-7-14-21(15-8-17)32(28,29)26-20-12-10-19(11-13-20)25-23(27)16-9-18-5-4-6-22(30-2)24(18)31-3/h4-8,10-15,26H,9,16H2,1-3H3,(H,25,27).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide has a molecular weight of 454.55 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 55362952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).