2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C26H38N4O4S2 — CID 43951233

IUPAC2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N(C)C)CCN(C)C3)cc1
InChIInChI=1S/C26H38N4O4S2/c1-6-8-15-30(16-9-7-2)36(33,34)20-12-10-19(11-13-20)24(31)27-25-23(26(32)28(3)4)21-14-17-29(5)18-22(21)35-25/h10-13H,6-9,14-18H2,1-5H3,(H,27,31)
InChIKeyOCUZZYAZXYAGLL-UHFFFAOYSA-N
MW534.75 g/mol
LogP4.28
Rot. Bonds11

About 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43951233) has the molecular formula C26H38N4O4S2 and a molecular weight of 534.75 g/mol. Its IUPAC name is 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID43951233
Molecular FormulaC26H38N4O4S2
Molecular Weight534.75 g/mol
Exact Mass534.23
IUPAC Name2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N(C)C)CCN(C)C3)cc1
InChIInChI=1S/C26H38N4O4S2/c1-6-8-15-30(16-9-7-2)36(33,34)20-12-10-19(11-13-20)24(31)27-25-23(26(32)28(3)4)21-14-17-29(5)18-22(21)35-25/h10-13H,6-9,14-18H2,1-5H3,(H,27,31)
InChIKeyOCUZZYAZXYAGLL-UHFFFAOYSA-N
XLogP4.28
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.75
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5016270
2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951325
2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951517
ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-3-(dipropylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43951889
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806228
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4055304
2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3649730
6-acetyl-2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4098966
ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3640440
2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3713977
ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973207
N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5221249

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43951233) is 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)N(C)C)CCN(C)C3)cc1.
What is the InChIKey of 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is OCUZZYAZXYAGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4S2/c1-6-8-15-30(16-9-7-2)36(33,34)20-12-10-19(11-13-20)24(31)27-25-23(26(32)28(3)4)21-14-17-29(5)18-22(21)35-25/h10-13H,6-9,14-18H2,1-5H3,(H,27,31).
What are the key properties of 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 534.75 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43951233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).