3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide

C23H29NO4S — CID 58145503

IUPAC3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide
SMILESCc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)C)cc2)cc(C(=O)NC(C)C)c1
InChIInChI=1S/C23H29NO4S/c1-15(2)24-23(26)21-11-17(5)10-19(12-21)13-22(25)20-8-6-18(7-9-20)14-29(27,28)16(3)4/h6-12,15-16H,13-14H2,1-5H3,(H,24,26)
InChIKeyLBLIDYRCNDCQKI-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.88
Rot. Bonds8

About 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide

3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide (PubChem CID 58145503) has the molecular formula C23H29NO4S and a molecular weight of 415.56 g/mol. Its IUPAC name is 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide
PubChem CID58145503
Molecular FormulaC23H29NO4S
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC Name3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide
SMILESCc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)C)cc2)cc(C(=O)NC(C)C)c1
InChIInChI=1S/C23H29NO4S/c1-15(2)24-23(26)21-11-17(5)10-19(12-21)13-22(25)20-8-6-18(7-9-20)14-29(27,28)16(3)4/h6-12,15-16H,13-14H2,1-5H3,(H,24,26)
InChIKeyLBLIDYRCNDCQKI-UHFFFAOYSA-N
XLogP3.88
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5-trimethyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide
CID 58145280
3-[2-[4-(tert-butylsulfonylmethyl)phenyl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 58145111
4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide
CID 58143729
2-(4-tert-butylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58144991
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
2-(3-cyclopentyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145169
2-(1-benzothiophen-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58144813
3-hexyl-5-methyl-N-propan-2-ylbenzamide
CID 90950721
N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide
CID 58145128
2-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145705
2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58143714
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide (CID 58145503) is 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide is Cc1cc(CC(=O)c2ccc(CS(=O)(=O)C(C)C)cc2)cc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide?
The InChIKey is LBLIDYRCNDCQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4S/c1-15(2)24-23(26)21-11-17(5)10-19(12-21)13-22(25)20-8-6-18(7-9-20)14-29(27,28)16(3)4/h6-12,15-16H,13-14H2,1-5H3,(H,24,26).
What are the key properties of 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide?
3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide has a molecular weight of 415.56 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 58145503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).