2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide

C12H20N4O3S — CID 115992518

IUPAC2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H20N4O3S/c1-3-7-16(8-11(17)15-2)9-5-4-6-10(12(9)13)20(14,18)19/h4-6H,3,7-8,13H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyIJRRNBQHBZQFML-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.12
Rot. Bonds6

About 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide

2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide (PubChem CID 115992518) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide
PubChem CID115992518
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H20N4O3S/c1-3-7-16(8-11(17)15-2)9-5-4-6-10(12(9)13)20(14,18)19/h4-6H,3,7-8,13H2,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyIJRRNBQHBZQFML-UHFFFAOYSA-N
XLogP-0.12
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.12
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-amino-3-[propyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 115992553
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209
2-(3-amino-2-nitro-N-propylanilino)-N-methylacetamide
CID 80806176
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-(2-carbamothioyl-3-chloro-N-propylanilino)-N-methylacetamide
CID 62496849
1-N-[2-(dimethylamino)ethyl]-3-methylsulfonyl-1-N-propylbenzene-1,2-diamine
CID 82002961
2-[3-fluoro-2-(1-hydroxyethyl)-N-propylanilino]-N-methylacetamide
CID 54984732
1-[2-amino-3-(dipropylamino)phenyl]ethanone
CID 70335782
1-N,1-N-diethyl-3-methylsulfonylbenzene-1,2-diamine
CID 82002554
2-[(3-amino-2,4-difluorophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 107343346
2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol
CID 82002299
2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid
CID 61007878

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide?
The IUPAC name of 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide (CID 115992518) is 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide is CCCN(CC(=O)NC)c1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide?
The InChIKey is IJRRNBQHBZQFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-7-16(8-11(17)15-2)9-5-4-6-10(12(9)13)20(14,18)19/h4-6H,3,7-8,13H2,1-2H3,(H,15,17)(H2,14,18,19).
What are the key properties of 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide?
2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide has a molecular weight of 300.38 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide is sourced from PubChem (CID 115992518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).