3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide

C22H23N3O3S2 — CID 112845311

IUPAC3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide
SMILESNC(=O)c1cccc(S(=O)(=O)NCC(c2ccccc2)N2CCc3sccc3C2)c1
InChIInChI=1S/C22H23N3O3S2/c23-22(26)17-7-4-8-19(13-17)30(27,28)24-14-20(16-5-2-1-3-6-16)25-11-9-21-18(15-25)10-12-29-21/h1-8,10,12-13,20,24H,9,11,14-15H2,(H2,23,26)
InChIKeyMOTFCAVJBMNQQL-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.92
Rot. Bonds7

About 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide

3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide (PubChem CID 112845311) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide
PubChem CID112845311
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide
SMILESNC(=O)c1cccc(S(=O)(=O)NCC(c2ccccc2)N2CCc3sccc3C2)c1
InChIInChI=1S/C22H23N3O3S2/c23-22(26)17-7-4-8-19(13-17)30(27,28)24-14-20(16-5-2-1-3-6-16)25-11-9-21-18(15-25)10-12-29-21/h1-8,10,12-13,20,24H,9,11,14-15H2,(H2,23,26)
InChIKeyMOTFCAVJBMNQQL-UHFFFAOYSA-N
XLogP2.92
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide with MolForge

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Related Compounds

3-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]benzene-1,3-dicarboxamide
CID 51950048
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]acetamide
CID 119853305
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18577861
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 112503214
1-benzoyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]pyrrolidine-2-carboxamide
CID 112826999
4-acetyl-N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1H-pyrrole-2-carboxamide
CID 51948476
3-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853286
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-fluorobenzenesulfonamide
CID 30607043
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 78860474
methyl (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetate
CID 59101625
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide
CID 46423662
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933661

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide?
The IUPAC name of 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide (CID 112845311) is 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide.
What is the SMILES notation for 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide?
The canonical SMILES for 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide is NC(=O)c1cccc(S(=O)(=O)NCC(c2ccccc2)N2CCc3sccc3C2)c1.
What is the InChIKey of 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide?
The InChIKey is MOTFCAVJBMNQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c23-22(26)17-7-4-8-19(13-17)30(27,28)24-14-20(16-5-2-1-3-6-16)25-11-9-21-18(15-25)10-12-29-21/h1-8,10,12-13,20,24H,9,11,14-15H2,(H2,23,26).
What are the key properties of 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide?
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide has a molecular weight of 441.58 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]sulfamoyl]benzamide is sourced from PubChem (CID 112845311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).