3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide

C13H18BrN3O4S — CID 9224808

IUPAC3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrN3O4S/c1-2-15-13(19)9-16-12(18)7-8-17-22(20,21)11-6-4-3-5-10(11)14/h3-6,17H,2,7-9H2,1H3,(H,15,19)(H,16,18)
InChIKeyFTPLVQISMZOKKI-UHFFFAOYSA-N
MW392.28 g/mol
LogP0.37
Rot. Bonds8

About 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide

3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide (PubChem CID 9224808) has the molecular formula C13H18BrN3O4S and a molecular weight of 392.28 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide
PubChem CID9224808
Molecular FormulaC13H18BrN3O4S
Molecular Weight392.28 g/mol
Exact Mass391.02
IUPAC Name3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrN3O4S/c1-2-15-13(19)9-16-12(18)7-8-17-22(20,21)11-6-4-3-5-10(11)14/h3-6,17H,2,7-9H2,1H3,(H,15,19)(H,16,18)
InChIKeyFTPLVQISMZOKKI-UHFFFAOYSA-N
XLogP0.37
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide
CID 9224655
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 9340921
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350084
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234
2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 102675926
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256511
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 114380127
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24681682
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9391761

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide (CID 9224808) is 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide is CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The InChIKey is FTPLVQISMZOKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O4S/c1-2-15-13(19)9-16-12(18)7-8-17-22(20,21)11-6-4-3-5-10(11)14/h3-6,17H,2,7-9H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide?
3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide has a molecular weight of 392.28 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 9224808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).