N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide

C25H31NO4S — CID 58145128

IUPACN-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide
SMILESCC(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H31NO4S/c1-18(2)31(29,30)17-20-8-12-21(13-9-20)24(27)16-19-10-14-23(15-11-19)26-25(28)22-6-4-3-5-7-22/h8-15,18,22H,3-7,16-17H2,1-2H3,(H,26,28)
InChIKeyRWEKFOOEHKYWSF-UHFFFAOYSA-N
MW441.59 g/mol
LogP4.95
Rot. Bonds8

About N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide

N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide (PubChem CID 58145128) has the molecular formula C25H31NO4S and a molecular weight of 441.59 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide
PubChem CID58145128
Molecular FormulaC25H31NO4S
Molecular Weight441.59 g/mol
Exact Mass441.20
IUPAC NameN-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide
SMILESCC(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H31NO4S/c1-18(2)31(29,30)17-20-8-12-21(13-9-20)24(27)16-19-10-14-23(15-11-19)26-25(28)22-6-4-3-5-7-22/h8-15,18,22H,3-7,16-17H2,1-2H3,(H,26,28)
InChIKeyRWEKFOOEHKYWSF-UHFFFAOYSA-N
XLogP4.95
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)piperidin-1-yl]ethyl]phenyl]cyclohexanecarboxamide
CID 58145025
2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145691
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145595
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
2-(3-cyclopentyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145169
N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
CID 110778740
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide (CID 58145128) is N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide is CC(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(NC(=O)C3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide?
The InChIKey is RWEKFOOEHKYWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO4S/c1-18(2)31(29,30)17-20-8-12-21(13-9-20)24(27)16-19-10-14-23(15-11-19)26-25(28)22-6-4-3-5-7-22/h8-15,18,22H,3-7,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide?
N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide has a molecular weight of 441.59 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 58145128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).