3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

C15H24N2O5S — CID 113145127

IUPAC3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCOc1ccc(N(CCC(=O)NC(C)C)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H24N2O5S/c1-11(2)16-15(18)8-9-17(23(5,19)20)13-7-6-12(21-3)10-14(13)22-4/h6-7,10-11H,8-9H2,1-5H3,(H,16,18)
InChIKeyLGIDEODKSYWSQZ-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.38
Rot. Bonds8

About 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (PubChem CID 113145127) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
PubChem CID113145127
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCOc1ccc(N(CCC(=O)NC(C)C)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H24N2O5S/c1-11(2)16-15(18)8-9-17(23(5,19)20)13-7-6-12(21-3)10-14(13)22-4/h6-7,10-11H,8-9H2,1-5H3,(H,16,18)
InChIKeyLGIDEODKSYWSQZ-UHFFFAOYSA-N
XLogP1.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145132
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethoxyphenyl)methanesulfonamide
CID 113145157
N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide
CID 165347304
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133163169
N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070811
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide
CID 3139074
4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288264
methyl 4-chloro-3-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 113145668
N-cycloheptyl-3-(2,5-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145111
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133210923
3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113143656
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (CID 113145127) is 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is COc1ccc(N(CCC(=O)NC(C)C)S(C)(=O)=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The InChIKey is LGIDEODKSYWSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-11(2)16-15(18)8-9-17(23(5,19)20)13-7-6-12(21-3)10-14(13)22-4/h6-7,10-11H,8-9H2,1-5H3,(H,16,18).
What are the key properties of 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide has a molecular weight of 344.43 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113145127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).