N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide

C19H29NO3S — CID 10641695

IUPACN-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide
SMILESC[C@@H](NC(=O)C(C)(C)C)c1ccccc1[S@@](=O)CC(=O)C(C)(C)C
InChIInChI=1S/C19H29NO3S/c1-13(20-17(22)19(5,6)7)14-10-8-9-11-15(14)24(23)12-16(21)18(2,3)4/h8-11,13H,12H2,1-7H3,(H,20,22)/t13-,24+/m1/s1
InChIKeyIQYGXFBZYNHNDA-OZAJXLCCSA-N
MW351.51 g/mol
LogP3.63
Rot. Bonds5

About N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide

N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide (PubChem CID 10641695) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide
PubChem CID10641695
Molecular FormulaC19H29NO3S
Molecular Weight351.51 g/mol
Exact Mass351.19
IUPAC NameN-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide
SMILESC[C@@H](NC(=O)C(C)(C)C)c1ccccc1[S@@](=O)CC(=O)C(C)(C)C
InChIInChI=1S/C19H29NO3S/c1-13(20-17(22)19(5,6)7)14-10-8-9-11-15(14)24(23)12-16(21)18(2,3)4/h8-11,13H,12H2,1-7H3,(H,20,22)/t13-,24+/m1/s1
InChIKeyIQYGXFBZYNHNDA-OZAJXLCCSA-N
XLogP3.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,3S)-2-[(S)-[2-[(1R)-1-(2,2-dimethylpropanoylamino)ethyl]phenyl]sulfinyl]-3-hydroxy-4-methylpentanoate
CID 11102230
2,2-dimethyl-N-[(1R)-1-[2-(2-oxopropylsulfonyl)phenyl]ethyl]propanamide
CID 10860357
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
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
2,2-dimethyl-N-[2-nitro-1-(2-propan-2-ylphenyl)ethyl]propanamide
CID 172503558
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 113344954

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide (CID 10641695) is N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide is C[C@@H](NC(=O)C(C)(C)C)c1ccccc1[S@@](=O)CC(=O)C(C)(C)C.
What is the InChIKey of N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is IQYGXFBZYNHNDA-OZAJXLCCSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-13(20-17(22)19(5,6)7)14-10-8-9-11-15(14)24(23)12-16(21)18(2,3)4/h8-11,13H,12H2,1-7H3,(H,20,22)/t13-,24+/m1/s1.
What are the key properties of N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide?
N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 351.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-[(S)-(3,3-dimethyl-2-oxobutyl)sulfinyl]phenyl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10641695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).