N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C32H46N4O4S2 — CID 43951470

IUPACN,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC5(C)CC4CC(C)(C)C5)cc3)c2C(=O)N(CC)CC)C1
InChIInChI=1S/C32H46N4O4S2/c1-7-15-34-16-14-25-26(19-34)41-29(27(25)30(38)35(8-2)9-3)33-28(37)22-10-12-24(13-11-22)42(39,40)36-21-32(6)18-23(36)17-31(4,5)20-32/h10-13,23H,7-9,14-21H2,1-6H3,(H,33,37)
InChIKeyBMAYGKWUUQBIBK-UHFFFAOYSA-N
MW614.88 g/mol
LogP5.84
Rot. Bonds9

About N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43951470) has the molecular formula C32H46N4O4S2 and a molecular weight of 614.88 g/mol. Its IUPAC name is N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID43951470
Molecular FormulaC32H46N4O4S2
Molecular Weight614.88 g/mol
Exact Mass614.30
IUPAC NameN,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC5(C)CC4CC(C)(C)C5)cc3)c2C(=O)N(CC)CC)C1
InChIInChI=1S/C32H46N4O4S2/c1-7-15-34-16-14-25-26(19-34)41-29(27(25)30(38)35(8-2)9-3)33-28(37)22-10-12-24(13-11-22)42(39,40)36-21-32(6)18-23(36)17-31(4,5)20-32/h10-13,23H,7-9,14-21H2,1-6H3,(H,33,37)
InChIKeyBMAYGKWUUQBIBK-UHFFFAOYSA-N
XLogP5.84
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.88
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951443
6-ethyl-2-[[4-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 98142133
N-(methylcarbamoyl)-6-propan-2-yl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5187342
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
ethyl 1-[4-[[3-(diethylcarbamoyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperidine-4-carboxylate
CID 43951370
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-(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-(azepan-1-ylsulfonyl)benzoyl]amino]-6-benzyl-N,N-diethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951660
N-[3-(acetamidocarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4144415
methyl 2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4127110
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
N-[3-(acetamidocarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 5164116

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43951470) is N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC5(C)CC4CC(C)(C)C5)cc3)c2C(=O)N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BMAYGKWUUQBIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O4S2/c1-7-15-34-16-14-25-26(19-34)41-29(27(25)30(38)35(8-2)9-3)33-28(37)22-10-12-24(13-11-22)42(39,40)36-21-32(6)18-23(36)17-31(4,5)20-32/h10-13,23H,7-9,14-21H2,1-6H3,(H,33,37).
What are the key properties of N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 614.88 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-propyl-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43951470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).