3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C21H26N2O4S — CID 2233372

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-14-6-9-19(16(3)11-14)23-28(25,26)20-12-17(8-7-15(20)2)21(24)22-13-18-5-4-10-27-18/h6-9,11-12,18,23H,4-5,10,13H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyMAPOGOLQXXVNAF-SFHVURJKSA-N
MW402.52 g/mol
LogP3.32
Rot. Bonds6

About 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 2233372) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID2233372
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-14-6-9-19(16(3)11-14)23-28(25,26)20-12-17(8-7-15(20)2)21(24)22-13-18-5-4-10-27-18/h6-9,11-12,18,23H,4-5,10,13H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyMAPOGOLQXXVNAF-SFHVURJKSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2977769
1-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 41144560
[4-(oxolan-2-ylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate
CID 42906139
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331442
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
CID 62509999
N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333531
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 126413796
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 2233372) is 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is MAPOGOLQXXVNAF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14-6-9-19(16(3)11-14)23-28(25,26)20-12-17(8-7-15(20)2)21(24)22-13-18-5-4-10-27-18/h6-9,11-12,18,23H,4-5,10,13H2,1-3H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 2233372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).