N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide

C12H17NO3S — CID 92510485

IUPACN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-4-12(14)13-9(2)10-5-7-11(8-6-10)17(3,15)16/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyMUATXWSAPJCXQL-VIFPVBQESA-N
MW255.34 g/mol
LogP1.68
Rot. Bonds4

About N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide

N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 92510485) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID92510485
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-4-12(14)13-9(2)10-5-7-11(8-6-10)17(3,15)16/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyMUATXWSAPJCXQL-VIFPVBQESA-N
XLogP1.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096212
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
2-(azocan-1-yl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 125442415
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
3-[1-(4-methylsulfonylphenyl)ethylcarbamoylamino]-N-propylpropanamide
CID 55924438
2-(2-fluorophenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247307
3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 18096269
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26468206

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 92510485) is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide is CCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is MUATXWSAPJCXQL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-12(14)13-9(2)10-5-7-11(8-6-10)17(3,15)16/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 255.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 92510485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).