2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

C17H21N3O3S2 — CID 46690281

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCc3sccc3C2)c1C
InChIInChI=1S/C17H21N3O3S2/c1-11-7-14(25(18,22)23)8-15(12(11)2)19-17(21)10-20-5-3-16-13(9-20)4-6-24-16/h4,6-8H,3,5,9-10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeySYDSFWSZWIPMDW-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.01
Rot. Bonds4

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (PubChem CID 46690281) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
PubChem CID46690281
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCc3sccc3C2)c1C
InChIInChI=1S/C17H21N3O3S2/c1-11-7-14(25(18,22)23)8-15(12(11)2)19-17(21)10-20-5-3-16-13(9-20)4-6-24-16/h4,6-8H,3,5,9-10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeySYDSFWSZWIPMDW-UHFFFAOYSA-N
XLogP2.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 43375514
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
N-(2-chloro-4,6-dimethylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137943
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 41361454
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578616
2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 45355945
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019549
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678440

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (CID 46690281) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCc3sccc3C2)c1C.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The InChIKey is SYDSFWSZWIPMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-11-7-14(25(18,22)23)8-15(12(11)2)19-17(21)10-20-5-3-16-13(9-20)4-6-24-16/h4,6-8H,3,5,9-10H2,1-2H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 46690281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).