2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide

C10H13N3O4S — CID 81190318

IUPAC2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide
SMILESCc1c(N)cccc1S(=O)(=O)CC(=O)NC(N)=O
InChIInChI=1S/C10H13N3O4S/c1-6-7(11)3-2-4-8(6)18(16,17)5-9(14)13-10(12)15/h2-4H,5,11H2,1H3,(H3,12,13,14,15)
InChIKeyVFAKWWVYSBREHN-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.45
Rot. Bonds3

About 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide

2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide (PubChem CID 81190318) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide
PubChem CID81190318
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide
SMILESCc1c(N)cccc1S(=O)(=O)CC(=O)NC(N)=O
InChIInChI=1S/C10H13N3O4S/c1-6-7(11)3-2-4-8(6)18(16,17)5-9(14)13-10(12)15/h2-4H,5,11H2,1H3,(H3,12,13,14,15)
InChIKeyVFAKWWVYSBREHN-UHFFFAOYSA-N
XLogP-0.45
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide
CID 81190734
3-[(3-amino-2-methylphenyl)sulfonylamino]propanamide
CID 43553098
2-(4-amino-2-chlorophenyl)sulfonyl-N-carbamoylacetamide
CID 81181899
2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
CID 61369547
2-(3-amino-2-methylphenyl)sulfonylacetonitrile
CID 81190225
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107843628
sodium 3-amino-2-methylbenzenesulfonate
CID 101303613
3-[2-(tert-butylamino)-2-oxoethyl]sulfonyl-2-methylbenzoic acid
CID 81437169
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzenesulfonamide
CID 106140106

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide (CID 81190318) is 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide is Cc1c(N)cccc1S(=O)(=O)CC(=O)NC(N)=O.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide?
The InChIKey is VFAKWWVYSBREHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-6-7(11)3-2-4-8(6)18(16,17)5-9(14)13-10(12)15/h2-4H,5,11H2,1H3,(H3,12,13,14,15).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide?
2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide has a molecular weight of 271.30 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide is sourced from PubChem (CID 81190318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).