N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide

C23H25N3O4S — CID 51110981

IUPACN-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1
InChIInChI=1S/C23H25N3O4S/c1-4-30-17-7-5-16(6-8-17)21(27)25-19-18-14(2)13-15(3)24-22(18)31-20(19)23(28)26-9-11-29-12-10-26/h5-8,13H,4,9-12H2,1-3H3,(H,25,27)
InChIKeyHCWHKVBSCVPFTL-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.04
Rot. Bonds5

About N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide

N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide (PubChem CID 51110981) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide
PubChem CID51110981
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1
InChIInChI=1S/C23H25N3O4S/c1-4-30-17-7-5-16(6-8-17)21(27)25-19-18-14(2)13-15(3)24-22(18)31-20(19)23(28)26-9-11-29-12-10-26/h5-8,13H,4,9-12H2,1-3H3,(H,25,27)
InChIKeyHCWHKVBSCVPFTL-UHFFFAOYSA-N
XLogP4.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-fluorobenzamide
CID 17446260
N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide
CID 25333299
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734377
(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 17395345
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
ethyl 4,6-dimethyl-3-[(3-phenoxybenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 2373730
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
ethyl 3-(ethoxycarbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 10358756
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
ethyl 4,6-dimethyl-3-[(3-methylsulfonylbenzoyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 40952135

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide?
The IUPAC name of N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide (CID 51110981) is N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1.
What is the InChIKey of N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide?
The InChIKey is HCWHKVBSCVPFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-4-30-17-7-5-16(6-8-17)21(27)25-19-18-14(2)13-15(3)24-22(18)31-20(19)23(28)26-9-11-29-12-10-26/h5-8,13H,4,9-12H2,1-3H3,(H,25,27).
What are the key properties of N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide?
N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide has a molecular weight of 439.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide is sourced from PubChem (CID 51110981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).