3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C11H17N3O3S — CID 10707262

IUPAC3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c12-7-5-11(15)14-8-6-9-1-3-10(4-2-9)18(13,16)17/h1-4H,5-8,12H2,(H,14,15)(H2,13,16,17)
InChIKeyLTUFKTHCDCTILN-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.66
Rot. Bonds6

About 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 10707262) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID10707262
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c12-7-5-11(15)14-8-6-9-1-3-10(4-2-9)18(13,16)17/h1-4H,5-8,12H2,(H,14,15)(H2,13,16,17)
InChIKeyLTUFKTHCDCTILN-UHFFFAOYSA-N
XLogP-0.66
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
2-(2-aminoethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84557592
3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110685191
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
4-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 118707446
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538363
4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 10707262) is 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is LTUFKTHCDCTILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-7-5-11(15)14-8-6-9-1-3-10(4-2-9)18(13,16)17/h1-4H,5-8,12H2,(H,14,15)(H2,13,16,17).
What are the key properties of 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 271.34 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 10707262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).