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

C18H21ClN2OS — CID 42921673

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCC1c2ccsc2CCN1CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2OS/c1-13-16-7-9-23-17(16)6-8-21(13)12-18(22)20(2)11-14-4-3-5-15(19)10-14/h3-5,7,9-10,13H,6,8,11-12H2,1-2H3
InChIKeyVBLFJRYAZQAZCM-UHFFFAOYSA-N
MW348.90 g/mol
LogP3.98
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 42921673) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID42921673
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCC1c2ccsc2CCN1CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2OS/c1-13-16-7-9-23-17(16)6-8-21(13)12-18(22)20(2)11-14-4-3-5-15(19)10-14/h3-5,7,9-10,13H,6,8,11-12H2,1-2H3
InChIKeyVBLFJRYAZQAZCM-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
N-benzyl-N-methyl-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55432262
N-(2,6-dichlorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26006047
N-(2,4-dichlorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999920
N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975494
N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412408
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 26522130
N-[(3-chlorophenyl)methyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-methylacetamide
CID 95326255
N-(3-fluorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9000151
ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
CID 55445563
N-(4-chloro-2-nitrophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9000047
1-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324059

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 42921673) is N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is CC1c2ccsc2CCN1CC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is VBLFJRYAZQAZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-13-16-7-9-23-17(16)6-8-21(13)12-18(22)20(2)11-14-4-3-5-15(19)10-14/h3-5,7,9-10,13H,6,8,11-12H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 348.90 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 42921673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).