2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide

C16H23NO4S — CID 10860357

IUPAC2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide
SMILESCC(=O)CS(=O)(=O)c1ccccc1[C@@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C16H23NO4S/c1-11(18)10-22(20,21)14-9-7-6-8-13(14)12(2)17-15(19)16(3,4)5/h6-9,12H,10H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeyUSEPVSGJXAYDQP-GFCCVEGCSA-N
MW325.43 g/mol
LogP2.27
Rot. Bonds5

About 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide

2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide (PubChem CID 10860357) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide
PubChem CID10860357
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide
SMILESCC(=O)CS(=O)(=O)c1ccccc1[C@@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C16H23NO4S/c1-11(18)10-22(20,21)14-9-7-6-8-13(14)12(2)17-15(19)16(3,4)5/h6-9,12H,10H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeyUSEPVSGJXAYDQP-GFCCVEGCSA-N
XLogP2.27
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide
CID 10641695
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide
CID 172503558

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide (CID 10860357) is 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide is CC(=O)CS(=O)(=O)c1ccccc1[C@@H](C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide?
The InChIKey is USEPVSGJXAYDQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-11(18)10-22(20,21)14-9-7-6-8-13(14)12(2)17-15(19)16(3,4)5/h6-9,12H,10H2,1-5H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide?
2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide has a molecular weight of 325.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 10860357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).