(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide

C15H18N2O3S2 — CID 97030329

IUPAC(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCc1csc(-c2ccccc2)n1)S(C)(=O)=O
InChIInChI=1S/C15H18N2O3S2/c1-11(22(2,19)20)14(18)16-9-8-13-10-21-15(17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyFWFCRJNDDBPIAU-NSHDSACASA-N
MW338.45 g/mol
LogP1.90
Rot. Bonds6

About (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide

(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 97030329) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID97030329
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCc1csc(-c2ccccc2)n1)S(C)(=O)=O
InChIInChI=1S/C15H18N2O3S2/c1-11(22(2,19)20)14(18)16-9-8-13-10-21-15(17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyFWFCRJNDDBPIAU-NSHDSACASA-N
XLogP1.90
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
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2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
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N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
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CID 5310230
1,2-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975145
N-(ethylsulfamoyl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 110624843
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 97030329) is (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide is C[C@@H](C(=O)NCCc1csc(-c2ccccc2)n1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is FWFCRJNDDBPIAU-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11(22(2,19)20)14(18)16-9-8-13-10-21-15(17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide?
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 97030329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).