N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C24H27N3O4S3 — CID 25445780

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESO=C(CN1CCc2sccc2[C@H]1c1cccs1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O4S3/c28-23(17-26-9-7-21-20(8-15-33-21)24(26)22-2-1-14-32-22)25-16-18-3-5-19(6-4-18)34(29,30)27-10-12-31-13-11-27/h1-6,8,14-15,24H,7,9-13,16-17H2,(H,25,28)/t24-/m0/s1
InChIKeyGDYCWJWLWZOCMF-DEOSSOPVSA-N
MW517.70 g/mol
LogP3.09
Rot. Bonds7

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 25445780) has the molecular formula C24H27N3O4S3 and a molecular weight of 517.70 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID25445780
Molecular FormulaC24H27N3O4S3
Molecular Weight517.70 g/mol
Exact Mass517.12
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESO=C(CN1CCc2sccc2[C@H]1c1cccs1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O4S3/c28-23(17-26-9-7-21-20(8-15-33-21)24(26)22-2-1-14-32-22)25-16-18-3-5-19(6-4-18)34(29,30)27-10-12-31-13-11-27/h1-6,8,14-15,24H,7,9-13,16-17H2,(H,25,28)/t24-/m0/s1
InChIKeyGDYCWJWLWZOCMF-DEOSSOPVSA-N
XLogP3.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 24568267
2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9129325
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128652
(3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41079148
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634
methyl 4-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]butanoate
CID 9129396
N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 24568266
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide
CID 55871272
1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 42962076
N-(4-chlorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128889

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 25445780) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is O=C(CN1CCc2sccc2[C@H]1c1cccs1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is GDYCWJWLWZOCMF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N3O4S3/c28-23(17-26-9-7-21-20(8-15-33-21)24(26)22-2-1-14-32-22)25-16-18-3-5-19(6-4-18)34(29,30)27-10-12-31-13-11-27/h1-6,8,14-15,24H,7,9-13,16-17H2,(H,25,28)/t24-/m0/s1.
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 517.70 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 25445780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).