4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide

C21H28N2O4S — CID 78783684

IUPAC4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
SMILESCc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)NCCO)cc2)c1C
InChIInChI=1S/C21H28N2O4S/c1-14-12-17(21(3,4)5)13-19(15(14)2)28(26,27)23-18-8-6-16(7-9-18)20(25)22-10-11-24/h6-9,12-13,23-24H,10-11H2,1-5H3,(H,22,25)
InChIKeySKWDPBMTKPGSOB-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.12
Rot. Bonds6

About 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide

4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 78783684) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID78783684
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
SMILESCc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)NCCO)cc2)c1C
InChIInChI=1S/C21H28N2O4S/c1-14-12-17(21(3,4)5)13-19(15(14)2)28(26,27)23-18-8-6-16(7-9-18)20(25)22-10-11-24/h6-9,12-13,23-24H,10-11H2,1-5H3,(H,22,25)
InChIKeySKWDPBMTKPGSOB-UHFFFAOYSA-N
XLogP3.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2347604
5-tert-butyl-2-methyl-N-[4-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide
CID 46657389
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
5-tert-butyl-N-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2,3-dimethylbenzenesulfonamide
CID 112771541
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
CID 30805358
3-[[4-(diethylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516649
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 86976041
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide
CID 2107998
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide (CID 78783684) is 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide is Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)NCCO)cc2)c1C.
What is the InChIKey of 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is SKWDPBMTKPGSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14-12-17(21(3,4)5)13-19(15(14)2)28(26,27)23-18-8-6-16(7-9-18)20(25)22-10-11-24/h6-9,12-13,23-24H,10-11H2,1-5H3,(H,22,25).
What are the key properties of 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide?
4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 78783684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).