2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide

C11H15N3O5S — CID 81206957

IUPAC2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide
SMILESCOc1cc(N)ccc1S(=O)(=O)C(C)C(=O)NC(N)=O
InChIInChI=1S/C11H15N3O5S/c1-6(10(15)14-11(13)16)20(17,18)9-4-3-7(12)5-8(9)19-2/h3-6H,12H2,1-2H3,(H3,13,14,15,16)
InChIKeyXYYIWXONDXPDPN-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.37
Rot. Bonds4

About 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide

2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide (PubChem CID 81206957) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide
PubChem CID81206957
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide
SMILESCOc1cc(N)ccc1S(=O)(=O)C(C)C(=O)NC(N)=O
InChIInChI=1S/C11H15N3O5S/c1-6(10(15)14-11(13)16)20(17,18)9-4-3-7(12)5-8(9)19-2/h3-6H,12H2,1-2H3,(H3,13,14,15,16)
InChIKeyXYYIWXONDXPDPN-UHFFFAOYSA-N
XLogP-0.37
TPSA141.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 81206553
2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide
CID 81200717
2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide
CID 55036205
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methyl-N-propan-2-ylacetamide
CID 81206794
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide (CID 81206957) is 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide is COc1cc(N)ccc1S(=O)(=O)C(C)C(=O)NC(N)=O.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide?
The InChIKey is XYYIWXONDXPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-6(10(15)14-11(13)16)20(17,18)9-4-3-7(12)5-8(9)19-2/h3-6H,12H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide?
2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide has a molecular weight of 301.32 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide is sourced from PubChem (CID 81206957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).