4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide

C15H24N2O3S — CID 53288213

IUPAC4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
SMILESCc1ccccc1N(CCCC(=O)NC(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-15(18)10-7-11-17(21(4,19)20)14-9-6-5-8-13(14)3/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,16,18)
InChIKeyBRUBPWSGGDUMEK-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.07
Rot. Bonds7

About 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide

4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide (PubChem CID 53288213) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
PubChem CID53288213
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
SMILESCc1ccccc1N(CCCC(=O)NC(C)C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-15(18)10-7-11-17(21(4,19)20)14-9-6-5-8-13(14)3/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,16,18)
InChIKeyBRUBPWSGGDUMEK-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165749
4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
CID 133202332
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 133186861
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113142556
4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288521
4-(2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]-N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 125055152
4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53285377
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53281030
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 99132737
3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113143656
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191693
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 21173577

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide (CID 53288213) is 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide is Cc1ccccc1N(CCCC(=O)NC(C)C)S(C)(=O)=O.
What is the InChIKey of 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The InChIKey is BRUBPWSGGDUMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)16-15(18)10-7-11-17(21(4,19)20)14-9-6-5-8-13(14)3/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,16,18).
What are the key properties of 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide has a molecular weight of 312.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 53288213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).