N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide

C13H18N2O4S2 — CID 56822525

IUPACN-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)C(C)Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S2/c1-4-14-13(17)15-12(16)9(2)20-10-5-7-11(8-6-10)21(3,18)19/h5-9H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyYCCHJUYVOHGFBJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.42
Rot. Bonds5

About N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide

N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide (PubChem CID 56822525) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide
PubChem CID56822525
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC NameN-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)C(C)Sc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S2/c1-4-14-13(17)15-12(16)9(2)20-10-5-7-11(8-6-10)21(3,18)19/h5-9H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyYCCHJUYVOHGFBJ-UHFFFAOYSA-N
XLogP1.42
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514633
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
3-(4-methylsulfonylphenyl)sulfanylbutan-2-one
CID 62403648
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 66346878
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 51468554
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214626
2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 75468172
2-(4-methylsulfonylphenyl)sulfanylbutanoic acid
CID 63238339
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide (CID 56822525) is N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide is CCNC(=O)NC(=O)C(C)Sc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide?
The InChIKey is YCCHJUYVOHGFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-4-14-13(17)15-12(16)9(2)20-10-5-7-11(8-6-10)21(3,18)19/h5-9H,4H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide?
N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide has a molecular weight of 330.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide is sourced from PubChem (CID 56822525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).