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

C19H21ClN2OS — CID 9001948

IUPACN-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESO=C(CN1CCc2sccc2[C@H]1C1CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2OS/c20-15-5-1-13(2-6-15)11-21-18(23)12-22-9-7-17-16(8-10-24-17)19(22)14-3-4-14/h1-2,5-6,8,10,14,19H,3-4,7,9,11-12H2,(H,21,23)/t19-/m1/s1
InChIKeyBHRKBFLFDDFQLY-LJQANCHMSA-N
MW360.91 g/mol
LogP4.03
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 9001948) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID9001948
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESO=C(CN1CCc2sccc2[C@H]1C1CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2OS/c20-15-5-1-13(2-6-15)11-21-18(23)12-22-9-7-17-16(8-10-24-17)19(22)14-3-4-14/h1-2,5-6,8,10,14,19H,3-4,7,9,11-12H2,(H,21,23)/t19-/m1/s1
InChIKeyBHRKBFLFDDFQLY-LJQANCHMSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9001883
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
CID 9002193
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 9002999
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 9002942
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002578
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
CID 9001964
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002665
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9002326
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 9002046
methyl 3-[[2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]-4-methylbenzoate
CID 9002431

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 9001948) is N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is O=C(CN1CCc2sccc2[C@H]1C1CC1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is BHRKBFLFDDFQLY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c20-15-5-1-13(2-6-15)11-21-18(23)12-22-9-7-17-16(8-10-24-17)19(22)14-3-4-14/h1-2,5-6,8,10,14,19H,3-4,7,9,11-12H2,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 360.91 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 9001948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).