3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide

C16H26N2O4S — CID 113144502

IUPAC3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)NCCC(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-13(2)9-11-17-16(19)10-12-18(23(4,20)21)14-7-5-6-8-15(14)22-3/h5-8,13H,9-12H2,1-4H3,(H,17,19)
InChIKeyANJOXNQYEBQOPL-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.01
Rot. Bonds9

About 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide

3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 113144502) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
PubChem CID113144502
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)NCCC(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-13(2)9-11-17-16(19)10-12-18(23(4,20)21)14-7-5-6-8-15(14)22-3/h5-8,13H,9-12H2,1-4H3,(H,17,19)
InChIKeyANJOXNQYEBQOPL-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(3-methylbutylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145571
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113144486
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142277
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113146504
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide (CID 113144502) is 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide is COc1ccccc1N(CCC(=O)NCCC(C)C)S(C)(=O)=O.
What is the InChIKey of 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is ANJOXNQYEBQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13(2)9-11-17-16(19)10-12-18(23(4,20)21)14-7-5-6-8-15(14)22-3/h5-8,13H,9-12H2,1-4H3,(H,17,19).
What are the key properties of 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 342.46 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113144502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).