3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide

C14H21N3O5S2 — CID 49068329

IUPAC3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCN1CCCS1(=O)=O
InChIInChI=1S/C14H21N3O5S2/c18-14(15-9-11-17-10-4-12-23(17,19)20)7-8-16-24(21,22)13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2,(H,15,18)
InChIKeyLPSWOLDOZBQBNQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP-0.49
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide

3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide (PubChem CID 49068329) has the molecular formula C14H21N3O5S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide
PubChem CID49068329
Molecular FormulaC14H21N3O5S2
Molecular Weight375.47 g/mol
Exact Mass375.09
IUPAC Name3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCCN1CCCS1(=O)=O
InChIInChI=1S/C14H21N3O5S2/c18-14(15-9-11-17-10-4-12-23(17,19)20)7-8-16-24(21,22)13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2,(H,15,18)
InChIKeyLPSWOLDOZBQBNQ-UHFFFAOYSA-N
XLogP-0.49
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590902
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide
CID 2190794
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110720940
3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
CID 110687886
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359461
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 39302101
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110720933

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide (CID 49068329) is 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)NCCN1CCCS1(=O)=O.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide?
The InChIKey is LPSWOLDOZBQBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S2/c18-14(15-9-11-17-10-4-12-23(17,19)20)7-8-16-24(21,22)13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2,(H,15,18).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide?
3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide has a molecular weight of 375.47 g/mol, XLogP of -0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide is sourced from PubChem (CID 49068329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).