2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide

C14H20N2O4S — CID 134013213

IUPAC2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O4S/c1-14(2,3)13(18)15-9-12(17)16-10-6-5-7-11(8-10)21(4,19)20/h5-8H,9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyJRRBXFFDSYPZTB-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.19
Rot. Bonds4

About 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide (PubChem CID 134013213) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
PubChem CID134013213
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O4S/c1-14(2,3)13(18)15-9-12(17)16-10-6-5-7-11(8-10)21(4,19)20/h5-8H,9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyJRRBXFFDSYPZTB-UHFFFAOYSA-N
XLogP1.19
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38325393
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071303
4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334790
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide (CID 134013213) is 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide is CC(C)(C)C(=O)NCC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide?
The InChIKey is JRRBXFFDSYPZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-14(2,3)13(18)15-9-12(17)16-10-6-5-7-11(8-10)21(4,19)20/h5-8H,9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide has a molecular weight of 312.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 134013213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).