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

C14H21NO3S — CID 110778701

IUPACN-(4-propan-2-ylsulfonylphenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-4-5-6-14(16)15-12-7-9-13(10-8-12)19(17,18)11(2)3/h7-11H,4-6H2,1-3H3,(H,15,16)
InChIKeyMLWPKCILERLZSY-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.00
Rot. Bonds6

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

N-(4-propan-2-ylsulfonylphenyl)pentanamide (PubChem CID 110778701) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(4-propan-2-ylsulfonylphenyl)pentanamide.

Molecular Properties

Compound NameN-(4-propan-2-ylsulfonylphenyl)pentanamide
PubChem CID110778701
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(4-propan-2-ylsulfonylphenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-4-5-6-14(16)15-12-7-9-13(10-8-12)19(17,18)11(2)3/h7-11H,4-6H2,1-3H3,(H,15,16)
InChIKeyMLWPKCILERLZSY-UHFFFAOYSA-N
XLogP3.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 115172909
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(4-acetamidophenyl)sulfonylphenyl]decanamide
CID 3028150
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
CID 110778736
2-(4-propan-2-ylsulfonylanilino)acetaldehyde
CID 115222671
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
3-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528412

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylsulfonylphenyl)pentanamide?
The IUPAC name of N-(4-propan-2-ylsulfonylphenyl)pentanamide (CID 110778701) is N-(4-propan-2-ylsulfonylphenyl)pentanamide.
What is the SMILES notation for N-(4-propan-2-ylsulfonylphenyl)pentanamide?
The canonical SMILES for N-(4-propan-2-ylsulfonylphenyl)pentanamide is CCCCC(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-(4-propan-2-ylsulfonylphenyl)pentanamide?
The InChIKey is MLWPKCILERLZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-5-6-14(16)15-12-7-9-13(10-8-12)19(17,18)11(2)3/h7-11H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-(4-propan-2-ylsulfonylphenyl)pentanamide?
N-(4-propan-2-ylsulfonylphenyl)pentanamide has a molecular weight of 283.39 g/mol, XLogP of 3.00, 6 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)pentanamide is sourced from PubChem (CID 110778701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).