1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone

C22H28N2O5S2 — CID 42894242

IUPAC1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCCC1c2ccsc2CCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H28N2O5S2/c1-3-18-17-7-13-30-20(17)6-8-24(18)22(25)15-16-4-5-19(28-2)21(14-16)31(26,27)23-9-11-29-12-10-23/h4-5,7,13-14,18H,3,6,8-12,15H2,1-2H3
InChIKeyLTAMSFCQBBMBPK-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone

1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 42894242) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID42894242
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC Name1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCCC1c2ccsc2CCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H28N2O5S2/c1-3-18-17-7-13-30-20(17)6-8-24(18)22(25)15-16-4-5-19(28-2)21(14-16)31(26,27)23-9-11-29-12-10-23/h4-5,7,13-14,18H,3,6,8-12,15H2,1-2H3
InChIKeyLTAMSFCQBBMBPK-UHFFFAOYSA-N
XLogP2.86
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453904
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 51239354
1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
CID 39137546
5-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 27331771
1-[(3S)-3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
CID 98188587
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 40985124
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112805224

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone (CID 42894242) is 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone is CCC1c2ccsc2CCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is LTAMSFCQBBMBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c1-3-18-17-7-13-30-20(17)6-8-24(18)22(25)15-16-4-5-19(28-2)21(14-16)31(26,27)23-9-11-29-12-10-23/h4-5,7,13-14,18H,3,6,8-12,15H2,1-2H3.
What are the key properties of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone?
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 464.61 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 42894242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).