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

C15H22N2O3S — CID 113142557

IUPACN-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N(CCC(=O)NC2CC2)S(C)(=O)=O)c1C
InChIInChI=1S/C15H22N2O3S/c1-11-5-4-6-14(12(11)2)17(21(3,19)20)10-9-15(18)16-13-7-8-13/h4-6,13H,7-10H2,1-3H3,(H,16,18)
InChIKeyDVCZVPVZNKMYGE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.74
Rot. Bonds6

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

N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142557) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142557
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N(CCC(=O)NC2CC2)S(C)(=O)=O)c1C
InChIInChI=1S/C15H22N2O3S/c1-11-5-4-6-14(12(11)2)17(21(3,19)20)10-9-15(18)16-13-7-8-13/h4-6,13H,7-10H2,1-3H3,(H,16,18)
InChIKeyDVCZVPVZNKMYGE-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-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142007
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113142556
N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
CID 113145210
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142623
N-cyclohexyl-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142895
N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143249
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
CID 113168819
3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113146748
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide (CID 113142557) is N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide is Cc1cccc(N(CCC(=O)NC2CC2)S(C)(=O)=O)c1C.
What is the InChIKey of N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is DVCZVPVZNKMYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-5-4-6-14(12(11)2)17(21(3,19)20)10-9-15(18)16-13-7-8-13/h4-6,13H,7-10H2,1-3H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide?
N-cyclopropyl-3-(2,3-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-(2,3-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).