3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide

C15H24N2O3S — CID 113142775

IUPAC3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCN(c1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-4-11-16-15(18)10-12-17(21(3,19)20)14-8-6-13(5-2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyDYISWHKIQMNKAT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds8

About 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide

3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide (PubChem CID 113142775) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
PubChem CID113142775
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCN(c1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-4-11-16-15(18)10-12-17(21(3,19)20)14-8-6-13(5-2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyDYISWHKIQMNKAT-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
3-(3-bromo-N-methylsulfonylanilino)-N-propylpropanamide
CID 113146042
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069223
3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide
CID 113145831
3-(4-acetamido-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145529
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
(2S)-2-[4-(4-ethyl-N-methylsulfonylanilino)butanoyl-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 100582944

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide?
The IUPAC name of 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide (CID 113142775) is 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide?
The canonical SMILES for 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide is CCCNC(=O)CCN(c1ccc(CC)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide?
The InChIKey is DYISWHKIQMNKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-11-16-15(18)10-12-17(21(3,19)20)14-8-6-13(5-2)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18).
What are the key properties of 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide?
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide is sourced from PubChem (CID 113142775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).