N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide

C12H16N2O4S — CID 121007306

IUPACN-[(4-methylphenyl)sulfonylcarbamoyl]butanamide
SMILESCCCC(=O)NC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O4S/c1-3-4-11(15)13-12(16)14-19(17,18)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyFTUZUVASIBBRPH-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.31
Rot. Bonds4

About N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide

N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide (PubChem CID 121007306) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)sulfonylcarbamoyl]butanamide
PubChem CID121007306
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-[(4-methylphenyl)sulfonylcarbamoyl]butanamide
SMILESCCCC(=O)NC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O4S/c1-3-4-11(15)13-12(16)14-19(17,18)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyFTUZUVASIBBRPH-UHFFFAOYSA-N
XLogP1.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 5505
CID 5505
CID 23690448
CID 23690448
CID 889524
CID 889524
CID 2136205
CID 2136205
CID 977781
CID 977781
CID 2209143
CID 2209143
CID 4141819
CID 4141819
CID 15716437
CID 15716437
CID 11772520
CID 11772520
CID 1819908
CID 1819908
CID 842481
CID 842481
CID 2904294
CID 2904294

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide?
The IUPAC name of N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide (CID 121007306) is N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide.
What is the SMILES notation for N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide?
The canonical SMILES for N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide is CCCC(=O)NC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide?
The InChIKey is FTUZUVASIBBRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-4-11(15)13-12(16)14-19(17,18)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide?
N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide has a molecular weight of 284.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)sulfonylcarbamoyl]butanamide is sourced from PubChem (CID 121007306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).