3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C11H17N3O3S — CID 43702371

IUPAC3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCN)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-8(14-11(15)6-7-12)9-2-4-10(5-3-9)18(13,16)17/h2-5,8H,6-7,12H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyQBTHIZNLWXEYBL-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.14
Rot. Bonds5

About 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 43702371) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID43702371
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCN)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c1-8(14-11(15)6-7-12)9-2-4-10(5-3-9)18(13,16)17/h2-5,8H,6-7,12H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyQBTHIZNLWXEYBL-UHFFFAOYSA-N
XLogP-0.14
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-cyclopentyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 8895164
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51276671
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-(2-chlorophenyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 27758673
1-(aminomethyl)-N-[1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115452372
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
CID 60708265
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 43702371) is 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is CC(NC(=O)CCN)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is QBTHIZNLWXEYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(14-11(15)6-7-12)9-2-4-10(5-3-9)18(13,16)17/h2-5,8H,6-7,12H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 271.34 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 43702371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).