2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide

C12H17N3O3S — CID 61366710

IUPAC2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)S(=O)c1ccccc1N
InChIInChI=1S/C12H17N3O3S/c1-3-14-12(17)15-11(16)8(2)19(18)10-7-5-4-6-9(10)13/h4-8H,3,13H2,1-2H3,(H2,14,15,16,17)
InChIKeySOSJYFHMBPLDAY-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.61
Rot. Bonds4

About 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide

2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide (PubChem CID 61366710) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
PubChem CID61366710
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)S(=O)c1ccccc1N
InChIInChI=1S/C12H17N3O3S/c1-3-14-12(17)15-11(16)8(2)19(18)10-7-5-4-6-9(10)13/h4-8H,3,13H2,1-2H3,(H2,14,15,16,17)
InChIKeySOSJYFHMBPLDAY-UHFFFAOYSA-N
XLogP0.61
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81183756
2-(2-aminophenyl)sulfinyl-N-butylpropanamide
CID 61366897
2-(4-amino-2-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81193311
2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81182077
2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide
CID 61367476
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927055
2-(3-amino-2-methylphenyl)sulfinyl-N-(furan-2-ylmethyl)propanamide
CID 81193044
2-[(3-amino-2-pyridinyl)sulfonyl]-N-(ethylcarbamoyl)propanamide
CID 61367269
N-(ethylcarbamoyl)-2-[2-(furan-2-yl)ethylamino]propanamide
CID 60638480
N-(ethylcarbamoyl)-2-(4-phenylbutan-2-ylamino)propanamide
CID 60638721
N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide
CID 61288025
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide (CID 61366710) is 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)S(=O)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
The InChIKey is SOSJYFHMBPLDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-14-12(17)15-11(16)8(2)19(18)10-7-5-4-6-9(10)13/h4-8H,3,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide has a molecular weight of 283.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 61366710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).