2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C26H36N4O5S2 — CID 43951273

IUPAC2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)sc2c1CCN(C)C2
InChIInChI=1S/C26H36N4O5S2/c1-6-29(7-2)26(32)23-21-12-13-28(5)16-22(21)36-25(23)27-24(31)19-8-10-20(11-9-19)37(33,34)30-14-17(3)35-18(4)15-30/h8-11,17-18H,6-7,12-16H2,1-5H3,(H,27,31)
InChIKeyARHCVUOIORXPFS-UHFFFAOYSA-N
MW548.73 g/mol
LogP3.27
Rot. Bonds7

About 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43951273) has the molecular formula C26H36N4O5S2 and a molecular weight of 548.73 g/mol. Its IUPAC name is 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID43951273
Molecular FormulaC26H36N4O5S2
Molecular Weight548.73 g/mol
Exact Mass548.21
IUPAC Name2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)sc2c1CCN(C)C2
InChIInChI=1S/C26H36N4O5S2/c1-6-29(7-2)26(32)23-21-12-13-28(5)16-22(21)36-25(23)27-24(31)19-8-10-20(11-9-19)37(33,34)30-14-17(3)35-18(4)15-30/h8-11,17-18H,6-7,12-16H2,1-5H3,(H,27,31)
InChIKeyARHCVUOIORXPFS-UHFFFAOYSA-N
XLogP3.27
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N,N-diethyl-6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951267
2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 6359701
N-[3-(acetamidocarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4089329
ethyl 4-[4-[[3-(dipropylcarbamoyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43951304
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951564
N,N-diethyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951551
N-[3-(acetamidocarbamoyl)-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4052374
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,N,6-triethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951373
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951562
2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951485
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[6-methyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23770571
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[6-propan-2-yl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23992507

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43951273) is 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN(CC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)sc2c1CCN(C)C2.
What is the InChIKey of 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is ARHCVUOIORXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5S2/c1-6-29(7-2)26(32)23-21-12-13-28(5)16-22(21)36-25(23)27-24(31)19-8-10-20(11-9-19)37(33,34)30-14-17(3)35-18(4)15-30/h8-11,17-18H,6-7,12-16H2,1-5H3,(H,27,31).
What are the key properties of 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 548.73 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N,N-diethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43951273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).