N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide

C22H23N3O3S2 — CID 67487807

IUPACN-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide
SMILESCS(=O)(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2N)C1
InChIInChI=1S/C22H23N3O3S2/c1-30(27,28)25-13-12-17-18(14-25)29-22(20(17)23)24-21(26)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,19H,12-14,23H2,1H3,(H,24,26)
InChIKeyWBKYWFIMXAIUCL-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.42
Rot. Bonds5

About N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide

N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide (PubChem CID 67487807) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide
PubChem CID67487807
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC NameN-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide
SMILESCS(=O)(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2N)C1
InChIInChI=1S/C22H23N3O3S2/c1-30(27,28)25-13-12-17-18(14-25)29-22(20(17)23)24-21(26)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,19H,12-14,23H2,1H3,(H,24,26)
InChIKeyWBKYWFIMXAIUCL-UHFFFAOYSA-N
XLogP3.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide
CID 163425721
methyl 2-[(2,2-diphenylacetyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4154427
2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 95434579
3-O-ethyl 6-O-methyl 2-[(2,2-diphenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41018037
methyl 3-(1,3-benzothiazol-2-yl)-2-[(2,2-diphenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993820
1-[cyclopentyl(phenyl)methyl]-3-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)urea
CID 86880487
3-amino-2-(1-benzothiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 71102232
tert-butyl 3-amino-2-[(1-hydroxy-2,2-diphenylethyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 163844025
3-amino-2-[[(Z)-2-[(E)-2-phenylethenyl]sulfanylbut-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 89276099
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,2-diphenylacetamide
CID 52725730
2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
CID 63574186
6-tert-butyl-2-[(2,2-diphenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3514984

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide (CID 67487807) is N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide is CS(=O)(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2N)C1.
What is the InChIKey of N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide?
The InChIKey is WBKYWFIMXAIUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-30(27,28)25-13-12-17-18(14-25)29-22(20(17)23)24-21(26)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,19H,12-14,23H2,1H3,(H,24,26).
What are the key properties of N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide?
N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide has a molecular weight of 441.58 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 67487807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).