6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C32H40N4O5S2 — CID 43951680

IUPAC6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C32H40N4O5S2/c1-3-15-35(16-4-2)32(38)29-27-14-17-34(22-24-8-6-5-7-9-24)23-28(27)42-31(29)33-30(37)25-10-12-26(13-11-25)43(39,40)36-18-20-41-21-19-36/h5-13H,3-4,14-23H2,1-2H3,(H,33,37)
InChIKeyPFZIYAFAKPCBAL-UHFFFAOYSA-N
MW624.83 g/mol
LogP4.84
Rot. Bonds11

About 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43951680) has the molecular formula C32H40N4O5S2 and a molecular weight of 624.83 g/mol. Its IUPAC name is 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID43951680
Molecular FormulaC32H40N4O5S2
Molecular Weight624.83 g/mol
Exact Mass624.24
IUPAC Name6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C32H40N4O5S2/c1-3-15-35(16-4-2)32(38)29-27-14-17-34(22-24-8-6-5-7-9-24)23-28(27)42-31(29)33-30(37)25-10-12-26(13-11-25)43(39,40)36-18-20-41-21-19-36/h5-13H,3-4,14-23H2,1-2H3,(H,33,37)
InChIKeyPFZIYAFAKPCBAL-UHFFFAOYSA-N
XLogP4.84
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-benzyl-N,N-diethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951660
6-benzyl-N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5198823
ethyl 3-(dipropylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43951903
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-benzyl-N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951633
6-benzyl-2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951672
ethyl 4-[4-[[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43951726
6-benzyl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951631
N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 23992475
methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3277881
methyl 6-benzyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973425
6-benzyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4558587
ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5177823

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43951680) is 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN(CCC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is PFZIYAFAKPCBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O5S2/c1-3-15-35(16-4-2)32(38)29-27-14-17-34(22-24-8-6-5-7-9-24)23-28(27)42-31(29)33-30(37)25-10-12-26(13-11-25)43(39,40)36-18-20-41-21-19-36/h5-13H,3-4,14-23H2,1-2H3,(H,33,37).
What are the key properties of 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 624.83 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43951680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).