2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide

C15H18N2O3S2 — CID 9151804

IUPAC2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
SMILESCC(C)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N2O3S2/c1-11(2)15(18)17-10-13(12-5-3-7-16-9-12)22(19,20)14-6-4-8-21-14/h3-9,11,13H,10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyWQSZRDFZTWKXDS-CYBMUJFWSA-N
MW338.45 g/mol
LogP2.43
Rot. Bonds6

About 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide

2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide (PubChem CID 9151804) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
PubChem CID9151804
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
SMILESCC(C)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N2O3S2/c1-11(2)15(18)17-10-13(12-5-3-7-16-9-12)22(19,20)14-6-4-8-21-14/h3-9,11,13H,10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyWQSZRDFZTWKXDS-CYBMUJFWSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151748
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978
N'-[(2S)-butan-2-yl]-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152784
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
3-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152253
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide?
The IUPAC name of 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide (CID 9151804) is 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide is CC(C)C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide?
The InChIKey is WQSZRDFZTWKXDS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11(2)15(18)17-10-13(12-5-3-7-16-9-12)22(19,20)14-6-4-8-21-14/h3-9,11,13H,10H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide?
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide is sourced from PubChem (CID 9151804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).