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

C24H33N5O5S2 — CID 5106108

IUPAC2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c2C(=O)NC(=O)NC)C1
InChIInChI=1S/C24H33N5O5S2/c1-5-13-28-14-12-18-19(15-28)35-23(20(18)22(31)27-24(32)25-4)26-21(30)16-8-10-17(11-9-16)36(33,34)29(6-2)7-3/h8-11H,5-7,12-15H2,1-4H3,(H,26,30)(H2,25,27,31,32)
InChIKeyCUDFIEUWPKQXOW-UHFFFAOYSA-N
MW535.69 g/mol
LogP2.87
Rot. Bonds9

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

2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 5106108) has the molecular formula C24H33N5O5S2 and a molecular weight of 535.69 g/mol. Its IUPAC name is 2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID5106108
Molecular FormulaC24H33N5O5S2
Molecular Weight535.69 g/mol
Exact Mass535.19
IUPAC Name2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c2C(=O)NC(=O)NC)C1
InChIInChI=1S/C24H33N5O5S2/c1-5-13-28-14-12-18-19(15-28)35-23(20(18)22(31)27-24(32)25-4)26-21(30)16-8-10-17(11-9-16)36(33,34)29(6-2)7-3/h8-11H,5-7,12-15H2,1-4H3,(H,26,30)(H2,25,27,31,32)
InChIKeyCUDFIEUWPKQXOW-UHFFFAOYSA-N
XLogP2.87
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.69
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3281786
2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5164057
N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5221249
6-benzyl-2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5053460
2-[[4-[bis(2-iminoethyl)sulfamoyl]benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5065888
2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4184678
methyl N-[2-[[4-[bis(cyanomethyl)sulfamoyl]benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 4128657
2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4122886
4-(dipropylsulfamoyl)-N-[3-(piperidine-1-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23968037
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806226
methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 4099561
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 2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 5106108) is 2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c2C(=O)NC(=O)NC)C1.
What is the InChIKey of 2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is CUDFIEUWPKQXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5S2/c1-5-13-28-14-12-18-19(15-28)35-23(20(18)22(31)27-24(32)25-4)26-21(30)16-8-10-17(11-9-16)36(33,34)29(6-2)7-3/h8-11H,5-7,12-15H2,1-4H3,(H,26,30)(H2,25,27,31,32).
What are the key properties of 2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 535.69 g/mol, XLogP of 2.87, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5106108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).