2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide

C11H18N4O3S — CID 54887799

IUPAC2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H18N4O3S/c1-14(2)11(16)7-15(3)9-4-8(12)5-10(6-9)19(13,17)18/h4-6H,7,12H2,1-3H3,(H2,13,17,18)
InChIKeyRPGTXTVYHOUHDJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.56
Rot. Bonds4

About 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide

2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide (PubChem CID 54887799) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide
PubChem CID54887799
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H18N4O3S/c1-14(2)11(16)7-15(3)9-4-8(12)5-10(6-9)19(13,17)18/h4-6H,7,12H2,1-3H3,(H2,13,17,18)
InChIKeyRPGTXTVYHOUHDJ-UHFFFAOYSA-N
XLogP-0.56
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide (CID 54887799) is 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide?
The InChIKey is RPGTXTVYHOUHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-14(2)11(16)7-15(3)9-4-8(12)5-10(6-9)19(13,17)18/h4-6H,7,12H2,1-3H3,(H2,13,17,18).
What are the key properties of 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide?
2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide has a molecular weight of 286.36 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 54887799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).