3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C22H22N4O3S2 — CID 27376666

IUPAC3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCc1csc(NS(=O)(=O)c2ccccc2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N4O3S2/c27-21(23-13-12-16-14-24-20-9-5-4-8-19(16)20)11-10-17-15-30-22(25-17)26-31(28,29)18-6-2-1-3-7-18/h1-9,14-15,24H,10-13H2,(H,23,27)(H,25,26)
InChIKeyPGRFVETXZSSEEK-UHFFFAOYSA-N
MW454.58 g/mol
LogP3.72
Rot. Bonds9

About 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 27376666) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID27376666
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC Name3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCc1csc(NS(=O)(=O)c2ccccc2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N4O3S2/c27-21(23-13-12-16-14-24-20-9-5-4-8-19(16)20)11-10-17-15-30-22(25-17)26-31(28,29)18-6-2-1-3-7-18/h1-9,14-15,24H,10-13H2,(H,23,27)(H,25,26)
InChIKeyPGRFVETXZSSEEK-UHFFFAOYSA-N
XLogP3.72
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 27376666) is 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is O=C(CCc1csc(NS(=O)(=O)c2ccccc2)n1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is PGRFVETXZSSEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S2/c27-21(23-13-12-16-14-24-20-9-5-4-8-19(16)20)11-10-17-15-30-22(25-17)26-31(28,29)18-6-2-1-3-7-18/h1-9,14-15,24H,10-13H2,(H,23,27)(H,25,26).
What are the key properties of 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 454.58 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 27376666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).