(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide

C13H18N2O3S — CID 94214626

IUPAC(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Sc1ccccc1OC
InChIInChI=1S/C13H18N2O3S/c1-4-14-13(17)15-12(16)9(2)19-11-8-6-5-7-10(11)18-3/h5-9H,4H2,1-3H3,(H2,14,15,16,17)/t9-/m0/s1
InChIKeyMBGVBKQLYGMIGE-VIFPVBQESA-N
MW282.37 g/mol
LogP2.02
Rot. Bonds5

About (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide

(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide (PubChem CID 94214626) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
PubChem CID94214626
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Sc1ccccc1OC
InChIInChI=1S/C13H18N2O3S/c1-4-14-13(17)15-12(16)9(2)19-11-8-6-5-7-10(11)18-3/h5-9H,4H2,1-3H3,(H2,14,15,16,17)/t9-/m0/s1
InChIKeyMBGVBKQLYGMIGE-VIFPVBQESA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43083660
(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214605
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298351
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 6412408
N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide
CID 56822525

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide (CID 94214626) is (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide is CCNC(=O)NC(=O)[C@H](C)Sc1ccccc1OC.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
The InChIKey is MBGVBKQLYGMIGE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-14-13(17)15-12(16)9(2)19-11-8-6-5-7-10(11)18-3/h5-9H,4H2,1-3H3,(H2,14,15,16,17)/t9-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide?
(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide has a molecular weight of 282.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 94214626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).