N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide

C15H17NO2S2 — CID 99630865

IUPACN-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide
SMILESC[S@](=O)Cc1ccccc1NC(=O)CCc1cccs1
InChIInChI=1S/C15H17NO2S2/c1-20(18)11-12-5-2-3-7-14(12)16-15(17)9-8-13-6-4-10-19-13/h2-7,10H,8-9,11H2,1H3,(H,16,17)/t20-/m0/s1
InChIKeyWREWNGXETZQVKJ-FQEVSTJZSA-N
MW307.44 g/mol
LogP3.20
Rot. Bonds6

About N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide

N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 99630865) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide
PubChem CID99630865
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide
SMILESC[S@](=O)Cc1ccccc1NC(=O)CCc1cccs1
InChIInChI=1S/C15H17NO2S2/c1-20(18)11-12-5-2-3-7-14(12)16-15(17)9-8-13-6-4-10-19-13/h2-7,10H,8-9,11H2,1H3,(H,16,17)/t20-/m0/s1
InChIKeyWREWNGXETZQVKJ-FQEVSTJZSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
(2S)-2-methyl-N-[2-[[(S)-methylsulfinyl]methyl]phenyl]butanamide
CID 97306982
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide (CID 99630865) is N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide is C[S@](=O)Cc1ccccc1NC(=O)CCc1cccs1.
What is the InChIKey of N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is WREWNGXETZQVKJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-20(18)11-12-5-2-3-7-14(12)16-15(17)9-8-13-6-4-10-19-13/h2-7,10H,8-9,11H2,1H3,(H,16,17)/t20-/m0/s1.
What are the key properties of N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide?
N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 307.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 99630865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).