3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide

C19H16N2O4S2 — CID 5310363

IUPAC3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C19H16N2O4S2/c22-17(10-11-27(23,24)13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)25-12-16(18)26-19/h1-9H,10-12H2,(H,20,21,22)
InChIKeySOFDOEVVWFKEKK-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.51
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide

3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide (PubChem CID 5310363) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide
PubChem CID5310363
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC Name3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C19H16N2O4S2/c22-17(10-11-27(23,24)13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)25-12-16(18)26-19/h1-9H,10-12H2,(H,20,21,22)
InChIKeySOFDOEVVWFKEKK-UHFFFAOYSA-N
XLogP3.51
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide (CID 5310363) is 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)COc1ccccc1-2.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide?
The InChIKey is SOFDOEVVWFKEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c22-17(10-11-27(23,24)13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)25-12-16(18)26-19/h1-9H,10-12H2,(H,20,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide?
3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide has a molecular weight of 400.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 5310363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).