N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C23H26N2O3S2 — CID 132672589

IUPACN-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)C)c(C)c1
InChIInChI=1S/C23H26N2O3S2/c1-15(2)22(20-12-7-16(3)14-17(20)4)24-23(26)18-8-10-19(11-9-18)25-30(27,28)21-6-5-13-29-21/h5-15,22,25H,1-4H3,(H,24,26)
InChIKeyLAOOGOCTUXZVEH-UHFFFAOYSA-N
MW442.61 g/mol
LogP5.29
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 132672589) has the molecular formula C23H26N2O3S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID132672589
Molecular FormulaC23H26N2O3S2
Molecular Weight442.61 g/mol
Exact Mass442.14
IUPAC NameN-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)C)c(C)c1
InChIInChI=1S/C23H26N2O3S2/c1-15(2)22(20-12-7-16(3)14-17(20)4)24-23(26)18-8-10-19(11-9-18)25-30(27,28)21-6-5-13-29-21/h5-15,22,25H,1-4H3,(H,24,26)
InChIKeyLAOOGOCTUXZVEH-UHFFFAOYSA-N
XLogP5.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41248781
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613291
N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46515976
4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide
CID 132666924
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613275
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 92674510
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55490725
N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 33026888
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 132672589) is N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccc(C(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)C)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is LAOOGOCTUXZVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S2/c1-15(2)22(20-12-7-16(3)14-17(20)4)24-23(26)18-8-10-19(11-9-18)25-30(27,28)21-6-5-13-29-21/h5-15,22,25H,1-4H3,(H,24,26).
What are the key properties of N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 442.61 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 132672589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).