N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide

C24H27N3O6S2 — CID 21383242

IUPACN-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H27N3O6S2/c1-17-10-15-23(33-3)22(16-17)26-35(31,32)21-13-11-19(12-14-21)25-24(28)18(2)27(34(4,29)30)20-8-6-5-7-9-20/h5-16,18,26H,1-4H3,(H,25,28)
InChIKeyBAHHTIPGVSSKTI-UHFFFAOYSA-N
MW517.63 g/mol
LogP3.60
Rot. Bonds9

About N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide

N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 21383242) has the molecular formula C24H27N3O6S2 and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID21383242
Molecular FormulaC24H27N3O6S2
Molecular Weight517.63 g/mol
Exact Mass517.13
IUPAC NameN-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H27N3O6S2/c1-17-10-15-23(33-3)22(16-17)26-35(31,32)21-13-11-19(12-14-21)25-24(28)18(2)27(34(4,29)30)20-8-6-5-7-9-20/h5-16,18,26H,1-4H3,(H,25,28)
InChIKeyBAHHTIPGVSSKTI-UHFFFAOYSA-N
XLogP3.60
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 124555621
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126413930
(2S)-N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1003077
2-(4-methoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 43882438
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
CID 124546089
(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide
CID 124542525
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 126415254
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94854777
2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]propanamide
CID 3893347
(2R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94864617
(2R)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 124552410
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 99644737

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide (CID 21383242) is N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is BAHHTIPGVSSKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S2/c1-17-10-15-23(33-3)22(16-17)26-35(31,32)21-13-11-19(12-14-21)25-24(28)18(2)27(34(4,29)30)20-8-6-5-7-9-20/h5-16,18,26H,1-4H3,(H,25,28).
What are the key properties of N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide?
N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 517.63 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 21383242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).