methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate

C25H34N4O6S2 — CID 4099561

IUPACmethyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(=O)OC)CCN(CC)C3)cc1
InChIInChI=1S/C25H34N4O6S2/c1-5-13-29(14-6-2)37(33,34)18-10-8-17(9-11-18)22(30)26-24-21(23(31)27-25(32)35-4)19-12-15-28(7-3)16-20(19)36-24/h8-11H,5-7,12-16H2,1-4H3,(H,26,30)(H,27,31,32)
InChIKeySIHUHLTVUSZLNE-UHFFFAOYSA-N
MW550.70 g/mol
LogP3.69
Rot. Bonds10

About methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate

methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate (PubChem CID 4099561) has the molecular formula C25H34N4O6S2 and a molecular weight of 550.70 g/mol. Its IUPAC name is methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
PubChem CID4099561
Molecular FormulaC25H34N4O6S2
Molecular Weight550.70 g/mol
Exact Mass550.19
IUPAC Namemethyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(=O)OC)CCN(CC)C3)cc1
InChIInChI=1S/C25H34N4O6S2/c1-5-13-29(14-6-2)37(33,34)18-10-8-17(9-11-18)22(30)26-24-21(23(31)27-25(32)35-4)19-12-15-28(7-3)16-20(19)36-24/h8-11H,5-7,12-16H2,1-4H3,(H,26,30)(H,27,31,32)
InChIKeySIHUHLTVUSZLNE-UHFFFAOYSA-N
XLogP3.69
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.70
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951325
N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5221249
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-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3281786
methyl N-[6-benzyl-2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 4688110
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-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5016270
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dipropyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951377
6-benzyl-2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5053460
6-benzyl-N-carbamoyl-2-[[4-(dibutylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5053459
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806226
2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5106108

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate (CID 4099561) is methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(=O)OC)CCN(CC)C3)cc1.
What is the InChIKey of methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate?
The InChIKey is SIHUHLTVUSZLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6S2/c1-5-13-29(14-6-2)37(33,34)18-10-8-17(9-11-18)22(30)26-24-21(23(31)27-25(32)35-4)19-12-15-28(7-3)16-20(19)36-24/h8-11H,5-7,12-16H2,1-4H3,(H,26,30)(H,27,31,32).
What are the key properties of methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate?
methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate has a molecular weight of 550.70 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate is sourced from PubChem (CID 4099561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).