2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide

C13H19N3O3S — CID 81182077

IUPAC2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)S(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C13H19N3O3S/c1-4-15-13(18)16-12(17)9(3)20(19)10-5-6-11(14)8(2)7-10/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyNHEIIAWSJKWWJF-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.92
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide

2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide (PubChem CID 81182077) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
PubChem CID81182077
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)S(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C13H19N3O3S/c1-4-15-13(18)16-12(17)9(3)20(19)10-5-6-11(14)8(2)7-10/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyNHEIIAWSJKWWJF-UHFFFAOYSA-N
XLogP0.92
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.92
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-(4-amino-2-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81193311
2-(2-aminophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 61366710
2-methyl-4-pentan-3-ylsulfinylaniline
CID 81181489
2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide
CID 81190422
2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43520156
2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 79557592
2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43438016
2-(4-amino-3-methylphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
CID 81182160
2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81183646
3-(4-amino-3-methylphenyl)sulfinylpropanamide
CID 81182245
4-amino-3-methylbenzenesulfinate
CID 57056703

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide (CID 81182077) is 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)S(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
The InChIKey is NHEIIAWSJKWWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-15-13(18)16-12(17)9(3)20(19)10-5-6-11(14)8(2)7-10/h5-7,9H,4,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide?
2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide has a molecular weight of 297.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 81182077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).