N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

C23H24N2O4S2 — CID 15988767

IUPACN-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-16(2)17-5-9-20(10-6-17)25-23(27)18-7-11-19(12-8-18)24-21(26)13-15-31(28,29)22-4-3-14-30-22/h3-12,14,16H,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeySZWDTUMHLVGXLW-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.93
Rot. Bonds8

About N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (PubChem CID 15988767) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
PubChem CID15988767
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-16(2)17-5-9-20(10-6-17)25-23(27)18-7-11-19(12-8-18)24-21(26)13-15-31(28,29)22-4-3-14-30-22/h3-12,14,16H,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeySZWDTUMHLVGXLW-UHFFFAOYSA-N
XLogP4.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

HDAC inhibitor, Compound 1
CID 6918878
N-(4-acetylphenyl)thiophene-2-carboxamide
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Cambridge id 5272675
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4-[(Thiophen-2-ylacetyl)amino]benzamide
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N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide
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N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1215015
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2527187
N-(4-tert-butylphenyl)thiophene-3-carboxamide
CID 2815544
N-methyl-N-[4-(piperidin-1-ylcarbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
N-{4-[(2-phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 3162290
4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (CID 15988767) is N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is CC(C)c1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The InChIKey is SZWDTUMHLVGXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-16(2)17-5-9-20(10-6-17)25-23(27)18-7-11-19(12-8-18)24-21(26)13-15-31(28,29)22-4-3-14-30-22/h3-12,14,16H,13,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is sourced from PubChem (CID 15988767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).