2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide

C9H14N4O3S — CID 54887797

IUPAC2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide
SMILESCN(CC(N)=O)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H14N4O3S/c1-13(5-9(11)14)7-2-6(10)3-8(4-7)17(12,15)16/h2-4H,5,10H2,1H3,(H2,11,14)(H2,12,15,16)
InChIKeyFYEVTLARXHPKKF-UHFFFAOYSA-N
MW258.30 g/mol
LogP-1.16
Rot. Bonds4

About 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide

2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide (PubChem CID 54887797) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide
PubChem CID54887797
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide
SMILESCN(CC(N)=O)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H14N4O3S/c1-13(5-9(11)14)7-2-6(10)3-8(4-7)17(12,15)16/h2-4H,5,10H2,1H3,(H2,11,14)(H2,12,15,16)
InChIKeyFYEVTLARXHPKKF-UHFFFAOYSA-N
XLogP-1.16
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-1.16
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-N-methyl-5-sulfamoylanilino)-N,N-dimethylacetamide
CID 54887799
3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide
CID 79382065
2-(3-amino-N,5-dimethylanilino)acetamide
CID 112647128
3-amino-5-[5-hydroxypentyl(methyl)amino]benzenesulfonamide
CID 107197720
3-amino-5-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzenesulfonamide
CID 61426387
3-amino-5-[methyl(2-phenylethyl)amino]benzenesulfonamide
CID 65483125
3-amino-5-(dipropylamino)benzenesulfonamide
CID 54888017
3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide
CID 63681887
3-amino-5-[butyl(ethyl)amino]benzenesulfonamide
CID 54888110
3-amino-5-(N-ethyl-4-methylanilino)benzenesulfonamide
CID 62003383
3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
CID 61450992
2-[(6-amino-3-pyridinyl)-methylamino]acetamide
CID 43374025

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide?
The IUPAC name of 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide (CID 54887797) is 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide.
What is the SMILES notation for 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide?
The canonical SMILES for 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide is CN(CC(N)=O)c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide?
The InChIKey is FYEVTLARXHPKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-13(5-9(11)14)7-2-6(10)3-8(4-7)17(12,15)16/h2-4H,5,10H2,1H3,(H2,11,14)(H2,12,15,16).
What are the key properties of 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide?
2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide has a molecular weight of 258.30 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methyl-5-sulfamoylanilino)acetamide is sourced from PubChem (CID 54887797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).