3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

C15H24N2O3S — CID 113142556

IUPAC3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCc1cccc(N(CCC(=O)NC(C)C)S(C)(=O)=O)c1C
InChIInChI=1S/C15H24N2O3S/c1-11(2)16-15(18)9-10-17(21(5,19)20)14-8-6-7-12(3)13(14)4/h6-8,11H,9-10H2,1-5H3,(H,16,18)
InChIKeyPVPOPXIOAOYIGO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.98
Rot. Bonds6

About 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide

3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (PubChem CID 113142556) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
PubChem CID113142556
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
SMILESCc1cccc(N(CCC(=O)NC(C)C)S(C)(=O)=O)c1C
InChIInChI=1S/C15H24N2O3S/c1-11(2)16-15(18)9-10-17(21(5,19)20)14-8-6-7-12(3)13(14)4/h6-8,11H,9-10H2,1-5H3,(H,16,18)
InChIKeyPVPOPXIOAOYIGO-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113143656
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142623
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132665199
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133187595
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132422
N-benzyl-4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132678007
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]-N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 125065691
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(2,3-dimethylphenyl)methanesulfonamide
CID 113142578
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113144169

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide (CID 113142556) is 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is Cc1cccc(N(CCC(=O)NC(C)C)S(C)(=O)=O)c1C.
What is the InChIKey of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
The InChIKey is PVPOPXIOAOYIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)16-15(18)9-10-17(21(5,19)20)14-8-6-7-12(3)13(14)4/h6-8,11H,9-10H2,1-5H3,(H,16,18).
What are the key properties of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide?
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113142556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).