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

C24H29N5O7S2 — CID 4112414

IUPAC6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)c2C(=O)NC(N)=O)C1
InChIInChI=1S/C24H29N5O7S2/c1-13-10-29(11-14(2)36-13)38(34,35)17-6-4-16(5-7-17)21(31)26-23-20(22(32)27-24(25)33)18-8-9-28(15(3)30)12-19(18)37-23/h4-7,13-14H,8-12H2,1-3H3,(H,26,31)(H3,25,27,32,33)
InChIKeyBMZBPRBRKOZEBZ-UHFFFAOYSA-N
MW563.66 g/mol
LogP1.51
Rot. Bonds5

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

6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4112414) has the molecular formula C24H29N5O7S2 and a molecular weight of 563.66 g/mol. Its IUPAC name is 6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4112414
Molecular FormulaC24H29N5O7S2
Molecular Weight563.66 g/mol
Exact Mass563.15
IUPAC Name6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)c2C(=O)NC(N)=O)C1
InChIInChI=1S/C24H29N5O7S2/c1-13-10-29(11-14(2)36-13)38(34,35)17-6-4-16(5-7-17)21(31)26-23-20(22(32)27-24(25)33)18-8-9-28(15(3)30)12-19(18)37-23/h4-7,13-14H,8-12H2,1-3H3,(H,26,31)(H3,25,27,32,33)
InChIKeyBMZBPRBRKOZEBZ-UHFFFAOYSA-N
XLogP1.51
TPSA168.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.66
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4285945
6-acetyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3495362
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
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-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 4122887
6-benzyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4583163
6-acetyl-N-(methylcarbamoyl)-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4131281
6-acetyl-2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4608254
ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-(carbamoylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 5171357
2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4064782
6-acetyl-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3335123

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4112414) is 6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)c2C(=O)NC(N)=O)C1.
What is the InChIKey of 6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BMZBPRBRKOZEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O7S2/c1-13-10-29(11-14(2)36-13)38(34,35)17-6-4-16(5-7-17)21(31)26-23-20(22(32)27-24(25)33)18-8-9-28(15(3)30)12-19(18)37-23/h4-7,13-14H,8-12H2,1-3H3,(H,26,31)(H3,25,27,32,33).
What are the key properties of 6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 563.66 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-carbamoyl-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4112414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).