(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide

C27H27N3O5S2 — CID 124546089

IUPAC(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C27H27N3O5S2/c1-19-11-15-23(16-12-19)30(36(3,32)33)20(2)27(31)28-22-13-17-24(18-14-22)37(34,35)29-26-10-6-8-21-7-4-5-9-25(21)26/h4-18,20,29H,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyDZJDPFJHWPLOMQ-HXUWFJFHSA-N
MW537.66 g/mol
LogP4.74
Rot. Bonds8

About (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide

(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide (PubChem CID 124546089) has the molecular formula C27H27N3O5S2 and a molecular weight of 537.66 g/mol. Its IUPAC name is (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
PubChem CID124546089
Molecular FormulaC27H27N3O5S2
Molecular Weight537.66 g/mol
Exact Mass537.14
IUPAC Name(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C27H27N3O5S2/c1-19-11-15-23(16-12-19)30(36(3,32)33)20(2)27(31)28-22-13-17-24(18-14-22)37(34,35)29-26-10-6-8-21-7-4-5-9-25(21)26/h4-18,20,29H,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyDZJDPFJHWPLOMQ-HXUWFJFHSA-N
XLogP4.74
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126413930
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
CID 126384842
2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]propanamide
CID 3893347
2-(4-methyl-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 46763491
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126415352
N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)propanamide
CID 21383242
(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234672
(2R)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 124552410
2-(4-methoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 43882438
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126415837
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 94864743
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881129

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide (CID 124546089) is (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide is Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
The InChIKey is DZJDPFJHWPLOMQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H27N3O5S2/c1-19-11-15-23(16-12-19)30(36(3,32)33)20(2)27(31)28-22-13-17-24(18-14-22)37(34,35)29-26-10-6-8-21-7-4-5-9-25(21)26/h4-18,20,29H,1-3H3,(H,28,31)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide?
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide has a molecular weight of 537.66 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 124546089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).