3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide

C17H26N2O4S — CID 110416392

IUPAC3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H26N2O4S/c1-4-11-19(12-5-2)17(21)10-13-24(22,23)16-8-6-15(7-9-16)18-14(3)20/h6-9H,4-5,10-13H2,1-3H3,(H,18,20)
InChIKeyPBWHPXGSEAVQQZ-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.46
Rot. Bonds9

About 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide

3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide (PubChem CID 110416392) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide
PubChem CID110416392
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H26N2O4S/c1-4-11-19(12-5-2)17(21)10-13-24(22,23)16-8-6-15(7-9-16)18-14(3)20/h6-9H,4-5,10-13H2,1-3H3,(H,18,20)
InChIKeyPBWHPXGSEAVQQZ-UHFFFAOYSA-N
XLogP2.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416390
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
N-[4-[2-(ethylamino)ethylsulfonyl]phenyl]acetamide
CID 95473955
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide
CID 110406865
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
CID 17309433
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
ethyl 4-acetamidobenzenesulfonate
CID 91726392
3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 110419509
3-(4-acetamidophenyl)sulfonylpropyl acetate
CID 86188958
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide (CID 110416392) is 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide?
The InChIKey is PBWHPXGSEAVQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-11-19(12-5-2)17(21)10-13-24(22,23)16-8-6-15(7-9-16)18-14(3)20/h6-9H,4-5,10-13H2,1-3H3,(H,18,20).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide?
3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide has a molecular weight of 354.47 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide is sourced from PubChem (CID 110416392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).