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

C18H18Cl2N2OS — CID 9002193

IUPAC2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CN1CCc2sccc2[C@@H]1C1CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2N2OS/c19-13-2-1-3-14(20)17(13)21-16(23)10-22-8-6-15-12(7-9-24-15)18(22)11-4-5-11/h1-3,7,9,11,18H,4-6,8,10H2,(H,21,23)/t18-/m0/s1
InChIKeyXHIYPBIFIPTUDL-SFHVURJKSA-N
MW381.33 g/mol
LogP5.00
Rot. Bonds4

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

2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 9002193) has the molecular formula C18H18Cl2N2OS and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
PubChem CID9002193
Molecular FormulaC18H18Cl2N2OS
Molecular Weight381.33 g/mol
Exact Mass380.05
IUPAC Name2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CN1CCc2sccc2[C@@H]1C1CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2N2OS/c19-13-2-1-3-14(20)17(13)21-16(23)10-22-8-6-15-12(7-9-24-15)18(22)11-4-5-11/h1-3,7,9,11,18H,4-6,8,10H2,(H,21,23)/t18-/m0/s1
InChIKeyXHIYPBIFIPTUDL-SFHVURJKSA-N
XLogP5.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26006047
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9002326
N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9001883
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
CID 9001964
N-(5-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002705
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002146
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9002905
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9001948
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 9002046
N-cyclopentyl-2-[[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
CID 9002644
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9001869
N-(2,6-dichlorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 24589322

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide (CID 9002193) is 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide is O=C(CN1CCc2sccc2[C@@H]1C1CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is XHIYPBIFIPTUDL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18Cl2N2OS/c19-13-2-1-3-14(20)17(13)21-16(23)10-22-8-6-15-12(7-9-24-15)18(22)11-4-5-11/h1-3,7,9,11,18H,4-6,8,10H2,(H,21,23)/t18-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide?
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 381.33 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 9002193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).