2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C30H44N4O4S2 — CID 43951485

IUPAC2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)c2C(=O)N(CCC)CCC)C1
InChIInChI=1S/C30H44N4O4S2/c1-5-15-32-19-14-25-26(21-32)39-29(27(25)30(36)33(16-6-2)17-7-3)31-28(35)23-10-12-24(13-11-23)40(37,38)34-18-8-9-22(4)20-34/h10-13,22H,5-9,14-21H2,1-4H3,(H,31,35)
InChIKeyMBWQPKGVRLQAQF-UHFFFAOYSA-N
MW588.84 g/mol
LogP5.45
Rot. Bonds11

About 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43951485) has the molecular formula C30H44N4O4S2 and a molecular weight of 588.84 g/mol. Its IUPAC name is 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID43951485
Molecular FormulaC30H44N4O4S2
Molecular Weight588.84 g/mol
Exact Mass588.28
IUPAC Name2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)c2C(=O)N(CCC)CCC)C1
InChIInChI=1S/C30H44N4O4S2/c1-5-15-32-19-14-25-26(21-32)39-29(27(25)30(36)33(16-6-2)17-7-3)31-28(35)23-10-12-24(13-11-23)40(37,38)34-18-8-9-22(4)20-34/h10-13,22H,5-9,14-21H2,1-4H3,(H,31,35)
InChIKeyMBWQPKGVRLQAQF-UHFFFAOYSA-N
XLogP5.45
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-(acetamidocarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4144415
4-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23940879
N-methyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4550367
N,N-diethyl-6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951267
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
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951377
ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4183391
6-benzyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951680
6-acetyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3495362
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 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) is 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)c2C(=O)N(CCC)CCC)C1.
What is the InChIKey of 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is MBWQPKGVRLQAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O4S2/c1-5-15-32-19-14-25-26(21-32)39-29(27(25)30(36)33(16-6-2)17-7-3)31-28(35)23-10-12-24(13-11-23)40(37,38)34-18-8-9-22(4)20-34/h10-13,22H,5-9,14-21H2,1-4H3,(H,31,35).
What are the key properties of 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 588.84 g/mol, XLogP of 5.45, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-N,N,6-tripropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43951485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).