N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

C25H21N3O4S2 — CID 4050137

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1
InChIInChI=1S/C25H21N3O4S2/c1-2-28(18-8-4-3-5-9-18)34(30,31)19-14-12-17(13-15-19)24(29)27-25-26-23-20-10-6-7-11-21(20)32-16-22(23)33-25/h3-15H,2,16H2,1H3,(H,26,27,29)
InChIKeyAPAVIUFCGQIHTP-UHFFFAOYSA-N
MW491.59 g/mol
LogP5.17
Rot. Bonds6

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 4050137) has the molecular formula C25H21N3O4S2 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID4050137
Molecular FormulaC25H21N3O4S2
Molecular Weight491.59 g/mol
Exact Mass491.10
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1
InChIInChI=1S/C25H21N3O4S2/c1-2-28(18-8-4-3-5-9-18)34(30,31)19-14-12-17(13-15-19)24(29)27-25-26-23-20-10-6-7-11-21(20)32-16-22(23)33-25/h3-15H,2,16H2,1H3,(H,26,27,29)
InChIKeyAPAVIUFCGQIHTP-UHFFFAOYSA-N
XLogP5.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide
CID 4583151
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4616709
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5074832
4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4294898
4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3346908
4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 4280238
4-[benzyl(propan-2-yl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16833532
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide
CID 4190684
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 4115235

Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 4050137) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is APAVIUFCGQIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S2/c1-2-28(18-8-4-3-5-9-18)34(30,31)19-14-12-17(13-15-19)24(29)27-25-26-23-20-10-6-7-11-21(20)32-16-22(23)33-25/h3-15H,2,16H2,1H3,(H,26,27,29).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 491.59 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4050137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).