N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide

C14H19NO3S — CID 110778740

IUPACN-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-10(2)19(17,18)13-8-6-12(7-9-13)15-14(16)11-4-3-5-11/h6-11H,3-5H2,1-2H3,(H,15,16)
InChIKeyBSYSOUMYFFHXCC-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.61
Rot. Bonds4

About N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide

N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide (PubChem CID 110778740) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
PubChem CID110778740
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-10(2)19(17,18)13-8-6-12(7-9-13)15-14(16)11-4-3-5-11/h6-11H,3-5H2,1-2H3,(H,15,16)
InChIKeyBSYSOUMYFFHXCC-UHFFFAOYSA-N
XLogP2.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 31972791
2-oxo-2-(4-propan-2-ylsulfonylanilino)acetic acid
CID 82502013
4-(cyclopropanecarbonylamino)benzenesulfonyl chloride
CID 16774559
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide (CID 110778740) is N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide is CC(C)S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1.
What is the InChIKey of N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide?
The InChIKey is BSYSOUMYFFHXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10(2)19(17,18)13-8-6-12(7-9-13)15-14(16)11-4-3-5-11/h6-11H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide?
N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 110778740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).