N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide

C15H22N2O3S — CID 113142007

IUPACN-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)NC2CC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C15H22N2O3S/c1-11-4-7-14(12(2)10-11)17(21(3,19)20)9-8-15(18)16-13-5-6-13/h4,7,10,13H,5-6,8-9H2,1-3H3,(H,16,18)
InChIKeyXOZIPLSJXUIKOH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.74
Rot. Bonds6

About N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide

N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142007) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142007
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)NC2CC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C15H22N2O3S/c1-11-4-7-14(12(2)10-11)17(21(3,19)20)9-8-15(18)16-13-5-6-13/h4,7,10,13H,5-6,8-9H2,1-3H3,(H,16,18)
InChIKeyXOZIPLSJXUIKOH-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 816090
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
CID 113142084
N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
CID 113145210
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 113142063

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 113142007) is N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(CCC(=O)NC2CC2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is XOZIPLSJXUIKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-4-7-14(12(2)10-11)17(21(3,19)20)9-8-15(18)16-13-5-6-13/h4,7,10,13H,5-6,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide?
N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 310.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).