N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide

C10H16N4O3S — CID 43552749

IUPACN-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C10H16N4O3S/c1-7(15)13-4-5-14-10-3-2-8(6-9(10)11)18(12,16)17/h2-3,6,14H,4-5,11H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyHUWZDWHAADRNOT-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.54
Rot. Bonds5

About N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide

N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide (PubChem CID 43552749) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
PubChem CID43552749
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C10H16N4O3S/c1-7(15)13-4-5-14-10-3-2-8(6-9(10)11)18(12,16)17/h2-3,6,14H,4-5,11H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyHUWZDWHAADRNOT-UHFFFAOYSA-N
XLogP-0.54
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-[2-(2-amino-5-sulfamoylanilino)ethyl]-1,1-dimethylurea
CID 83116616
3-amino-4-(4-methylsulfanylbutylamino)benzenesulfonamide
CID 113487240
tert-butyl N-[2-(2-amino-5-sulfamoylanilino)ethyl]carbamate
CID 104932877
tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate
CID 176857876
3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 43153449
3-amino-4-[(2-ethyl-2-hydroxybutyl)amino]benzenesulfonamide
CID 65102697
3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide
CID 106166600
3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 79756339
3-amino-4-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568212

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide (CID 43552749) is N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide is CC(=O)NCCNc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide?
The InChIKey is HUWZDWHAADRNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-7(15)13-4-5-14-10-3-2-8(6-9(10)11)18(12,16)17/h2-3,6,14H,4-5,11H2,1H3,(H,13,15)(H2,12,16,17).
What are the key properties of N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide?
N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide has a molecular weight of 272.33 g/mol, XLogP of -0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-4-sulfamoylanilino)ethyl]acetamide is sourced from PubChem (CID 43552749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).