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

C15H24N2O3S — CID 53285377

IUPAC4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
SMILESCc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-15(18)6-5-11-17(21(4,19)20)14-9-7-13(3)8-10-14/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyYNUJLVWUGOLRRL-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.07
Rot. Bonds7

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

4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide (PubChem CID 53285377) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
PubChem CID53285377
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
SMILESCc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-15(18)6-5-11-17(21(4,19)20)14-9-7-13(3)8-10-14/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyYNUJLVWUGOLRRL-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-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53286515
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53281030
4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
4-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99131677
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125042890
4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
4-(4-chloro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 132671755
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 132665209
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 125064049
4-(3-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99131737
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137
3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113141895

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide (CID 53285377) is 4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide is Cc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The InChIKey is YNUJLVWUGOLRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)16-15(18)6-5-11-17(21(4,19)20)14-9-7-13(3)8-10-14/h7-10,12H,5-6,11H2,1-4H3,(H,16,18).
What are the key properties of 4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
4-(4-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-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 53285377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).