N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide

C19H23N3O3S — CID 94641757

IUPACN-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(N[C@H](C)C(=O)N2CCc3sccc3C2)ccc1NC(C)=O
InChIInChI=1S/C19H23N3O3S/c1-12(19(24)22-8-6-18-14(11-22)7-9-26-18)20-15-4-5-16(21-13(2)23)17(10-15)25-3/h4-5,7,9-10,12,20H,6,8,11H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyCKNZWMUKTYGVAB-GFCCVEGCSA-N
MW373.48 g/mol
LogP3.10
Rot. Bonds5

About N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide

N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide (PubChem CID 94641757) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide
PubChem CID94641757
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(N[C@H](C)C(=O)N2CCc3sccc3C2)ccc1NC(C)=O
InChIInChI=1S/C19H23N3O3S/c1-12(19(24)22-8-6-18-14(11-22)7-9-26-18)20-15-4-5-16(21-13(2)23)17(10-15)25-3/h4-5,7,9-10,12,20H,6,8,11H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyCKNZWMUKTYGVAB-GFCCVEGCSA-N
XLogP3.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-phenoxyanilino)propan-1-one
CID 55540553
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 71685540
N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992830
N-[4-acetyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]acetamide
CID 17485447
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17453700
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 42469480
N-[2-methoxy-4-(1-thiophen-2-ylpropylamino)phenyl]acetamide
CID 43672924
4-chloro-N-[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]benzamide
CID 42470212
(2S)-2-(2,4-dichlorophenoxy)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 42469955
methyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-4,5-dimethoxybenzoate
CID 41390300

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide (CID 94641757) is N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide is COc1cc(N[C@H](C)C(=O)N2CCc3sccc3C2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide?
The InChIKey is CKNZWMUKTYGVAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12(19(24)22-8-6-18-14(11-22)7-9-26-18)20-15-4-5-16(21-13(2)23)17(10-15)25-3/h4-5,7,9-10,12,20H,6,8,11H2,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide?
N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 94641757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).