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

C30H42N4O4S2 — CID 43951443

IUPACN,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
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC5(C)CC4CC(C)(C)C5)cc3)c2C(=O)N(C)C)C1
InChIInChI=1S/C30H42N4O4S2/c1-7-13-33-14-12-23-24(17-33)39-27(25(23)28(36)32(5)6)31-26(35)20-8-10-22(11-9-20)40(37,38)34-19-30(4)16-21(34)15-29(2,3)18-30/h8-11,21H,7,12-19H2,1-6H3,(H,31,35)
InChIKeyICUAZDRWTPSLBG-UHFFFAOYSA-N
MW586.82 g/mol
LogP5.06
Rot. Bonds7

About 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

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 (PubChem CID 43951443) has the molecular formula C30H42N4O4S2 and a molecular weight of 586.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID43951443
Molecular FormulaC30H42N4O4S2
Molecular Weight586.82 g/mol
Exact Mass586.26
IUPAC NameN,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
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC5(C)CC4CC(C)(C)C5)cc3)c2C(=O)N(C)C)C1
InChIInChI=1S/C30H42N4O4S2/c1-7-13-33-14-12-23-24(17-33)39-27(25(23)28(36)32(5)6)31-26(35)20-8-10-22(11-9-20)40(37,38)34-19-30(4)16-21(34)15-29(2,3)18-30/h8-11,21H,7,12-19H2,1-6H3,(H,31,35)
InChIKeyICUAZDRWTPSLBG-UHFFFAOYSA-N
XLogP5.06
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.82
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
6-ethyl-N,N-dimethyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951335
2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951325
N-[3-(acetamidocarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 5164116
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
N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5221249
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
N-methyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4550367
2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4122886

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC5(C)CC4CC(C)(C)C5)cc3)c2C(=O)N(C)C)C1.
What is the InChIKey of 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?
The InChIKey is ICUAZDRWTPSLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O4S2/c1-7-13-33-14-12-23-24(17-33)39-27(25(23)28(36)32(5)6)31-26(35)20-8-10-22(11-9-20)40(37,38)34-19-30(4)16-21(34)15-29(2,3)18-30/h8-11,21H,7,12-19H2,1-6H3,(H,31,35).
What are the key properties of 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?
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 has a molecular weight of 586.82 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 43951443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).