N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C21H28N2O3S — CID 98479306

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCC[C@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1cc(OC)ccc1OC
InChIInChI=1S/C21H28N2O3S/c1-5-18-16-9-11-27-20(16)8-10-23(18)13-21(24)22-14(2)17-12-15(25-3)6-7-19(17)26-4/h6-7,9,11-12,14,18H,5,8,10,13H2,1-4H3,(H,22,24)/t14-,18+/m1/s1
InChIKeyXLJRWYJSYDZHKH-KDOFPFPSSA-N
MW388.53 g/mol
LogP3.95
Rot. Bonds7

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 98479306) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID98479306
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESCC[C@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1cc(OC)ccc1OC
InChIInChI=1S/C21H28N2O3S/c1-5-18-16-9-11-27-20(16)8-10-23(18)13-21(24)22-14(2)17-12-15(25-3)6-7-19(17)26-4/h6-7,9,11-12,14,18H,5,8,10,13H2,1-4H3,(H,22,24)/t14-,18+/m1/s1
InChIKeyXLJRWYJSYDZHKH-KDOFPFPSSA-N
XLogP3.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2,4-dimethoxyphenyl)-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46482784
2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propan-2-ylacetamide
CID 27120884
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 41367206
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51224634
N-(5-acetamido-2-methoxyphenyl)-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26670250
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]acetamide
CID 71845058
2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-prop-2-ynylacetamide
CID 51227314
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 55412784
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide
CID 55827984
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 98479306) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is CC[C@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1cc(OC)ccc1OC.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is XLJRWYJSYDZHKH-KDOFPFPSSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-18-16-9-11-27-20(16)8-10-23(18)13-21(24)22-14(2)17-12-15(25-3)6-7-19(17)26-4/h6-7,9,11-12,14,18H,5,8,10,13H2,1-4H3,(H,22,24)/t14-,18+/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 98479306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).