2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide

C15H23NO3S — CID 95706556

IUPAC2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO3S/c1-6-13(16-14(17)15(2,3)4)11-7-9-12(10-8-11)20(5,18)19/h7-10,13H,6H2,1-5H3,(H,16,17)/t13-/m0/s1
InChIKeyYWPOQQUNSPQIIY-ZDUSSCGKSA-N
MW297.42 g/mol
LogP2.70
Rot. Bonds4

About 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide

2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide (PubChem CID 95706556) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
PubChem CID95706556
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO3S/c1-6-13(16-14(17)15(2,3)4)11-7-9-12(10-8-11)20(5,18)19/h7-10,13H,6H2,1-5H3,(H,16,17)/t13-/m0/s1
InChIKeyYWPOQQUNSPQIIY-ZDUSSCGKSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
2-iodo-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132672756
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
CID 131919960
3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
CID 95192549
3-benzylsulfanyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 132659492
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100603883
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
CID 125054362
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
(3S)-1-ethylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 125042948
(3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 95118292

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide (CID 95706556) is 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide is CC[C@H](NC(=O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The InChIKey is YWPOQQUNSPQIIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-6-13(16-14(17)15(2,3)4)11-7-9-12(10-8-11)20(5,18)19/h7-10,13H,6H2,1-5H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide has a molecular weight of 297.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide is sourced from PubChem (CID 95706556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).