2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide

C14H19ClN2O4S — CID 6464021

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
SMILESCOc1ccc(Cl)cc1N(C(C)C(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O4S/c1-9(14(18)16-11-5-6-11)17(22(3,19)20)12-8-10(15)4-7-13(12)21-2/h4,7-9,11H,5-6H2,1-3H3,(H,16,18)
InChIKeyBNRSIMLHECEYFE-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.78
Rot. Bonds6

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide (PubChem CID 6464021) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
PubChem CID6464021
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
SMILESCOc1ccc(Cl)cc1N(C(C)C(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C14H19ClN2O4S/c1-9(14(18)16-11-5-6-11)17(22(3,19)20)12-8-10(15)4-7-13(12)21-2/h4,7-9,11H,5-6H2,1-3H3,(H,16,18)
InChIKeyBNRSIMLHECEYFE-UHFFFAOYSA-N
XLogP1.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 41466602
(2R)-N-tert-butyl-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanamide
CID 124561278
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-ethylpropanamide
CID 124561251
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 53281553
(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 8991594
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)propanamide
CID 53281554
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 7379124
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561296
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 53281524
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991560
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125086719

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide (CID 6464021) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide is COc1ccc(Cl)cc1N(C(C)C(=O)NC1CC1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide?
The InChIKey is BNRSIMLHECEYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-9(14(18)16-11-5-6-11)17(22(3,19)20)12-8-10(15)4-7-13(12)21-2/h4,7-9,11H,5-6H2,1-3H3,(H,16,18).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide has a molecular weight of 346.84 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 6464021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).