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

C20H26N2O3S — CID 9000906

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CN2CCc3sccc3[C@H]2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-24-16-4-6-17(7-5-16)25-12-10-21-20(23)14-22-11-8-19-18(15(22)2)9-13-26-19/h4-7,9,13,15H,3,8,10-12,14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyPUHGFXGLDWIZGH-OAHLLOKOSA-N
MW374.51 g/mol
LogP3.26
Rot. Bonds8

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

N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 9000906) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID9000906
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CN2CCc3sccc3[C@H]2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-24-16-4-6-17(7-5-16)25-12-10-21-20(23)14-22-11-8-19-18(15(22)2)9-13-26-19/h4-7,9,13,15H,3,8,10-12,14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyPUHGFXGLDWIZGH-OAHLLOKOSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002929
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 124742784
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-prop-2-ynylacetamide
CID 9000758
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-phenylpropyl)acetamide
CID 8999972
ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate
CID 9000827
2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 51500187
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999990
ethyl 2-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999987
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908123
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125160
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 51683410

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 9000906) is N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is CCOc1ccc(OCCNC(=O)CN2CCc3sccc3[C@H]2C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is PUHGFXGLDWIZGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-24-16-4-6-17(7-5-16)25-12-10-21-20(23)14-22-11-8-19-18(15(22)2)9-13-26-19/h4-7,9,13,15H,3,8,10-12,14H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 9000906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).