N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide

C23H28N2O4S — CID 93168977

IUPACN-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
SMILESCOCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1
InChIInChI=1S/C23H28N2O4S/c1-28-16-23(27)24(13-17-7-8-17)14-22(26)25-11-9-21-19(10-12-30-21)20(25)15-29-18-5-3-2-4-6-18/h2-6,10,12,17,20H,7-9,11,13-16H2,1H3/t20-/m1/s1
InChIKeyFDXODQYFEYFSRX-HXUWFJFHSA-N
MW428.55 g/mol
LogP3.14
Rot. Bonds9

About N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide

N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 93168977) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
PubChem CID93168977
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
SMILESCOCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1
InChIInChI=1S/C23H28N2O4S/c1-28-16-23(27)24(13-17-7-8-17)14-22(26)25-11-9-21-19(10-12-30-21)20(25)15-29-18-5-3-2-4-6-18/h2-6,10,12,17,20H,7-9,11,13-16H2,1H3/t20-/m1/s1
InChIKeyFDXODQYFEYFSRX-HXUWFJFHSA-N
XLogP3.14
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 46010657
N-(cyclopropylmethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide
CID 46011369
N-(cyclopropylmethyl)-2-methoxy-N-[2-[(4S)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 93171312
N-(cyclopropylmethyl)-N-[2-[(4S)-4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxyacetamide
CID 93169941
N-(cyclopropylmethyl)-2-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 93168968
N-(cyclopropylmethyl)-N-[2-[4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 46010848
N-(2-methoxyethyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
CID 46011250
2-[cyclopropylmethyl-[(2R)-2-hydroxy-3-methoxypropyl]amino]-1-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 129421357
N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)benzamide
CID 93166461
N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 93167422
N-(cyclopropylmethyl)-N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 46011786
2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93167795

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (CID 93168977) is N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide is COCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?
The InChIKey is FDXODQYFEYFSRX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-28-16-23(27)24(13-17-7-8-17)14-22(26)25-11-9-21-19(10-12-30-21)20(25)15-29-18-5-3-2-4-6-18/h2-6,10,12,17,20H,7-9,11,13-16H2,1H3/t20-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?
N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 428.55 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 93168977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).