5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide

C19H30N2O3S — CID 110299847

IUPAC5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-16(2)17-9-11-18(12-10-17)20-19(22)8-4-7-15-25(23,24)21-13-5-3-6-14-21/h9-12,16H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeyRPLKFDSKBBDZRA-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.73
Rot. Bonds8

About 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide

5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide (PubChem CID 110299847) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
PubChem CID110299847
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-16(2)17-9-11-18(12-10-17)20-19(22)8-4-7-15-25(23,24)21-13-5-3-6-14-21/h9-12,16H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeyRPLKFDSKBBDZRA-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299866
N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299885
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299831
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55771343
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342560
N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299836
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
5-oxo-5-(4-propan-2-ylanilino)pentanoate
CID 7038718
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide
CID 110342661
N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843902

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide?
The IUPAC name of 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide (CID 110299847) is 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide is CC(C)c1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide?
The InChIKey is RPLKFDSKBBDZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-16(2)17-9-11-18(12-10-17)20-19(22)8-4-7-15-25(23,24)21-13-5-3-6-14-21/h9-12,16H,3-8,13-15H2,1-2H3,(H,20,22).
What are the key properties of 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide?
5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide has a molecular weight of 366.53 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide is sourced from PubChem (CID 110299847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).