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

C25H35N5O5S2 — CID 5016270

IUPACN-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(=O)N(C)C)CCN(C)C3)cc1
InChIInChI=1S/C25H35N5O5S2/c1-6-13-30(14-7-2)37(34,35)18-10-8-17(9-11-18)22(31)26-24-21(23(32)27-25(33)28(3)4)19-12-15-29(5)16-20(19)36-24/h8-11H,6-7,12-16H2,1-5H3,(H,26,31)(H,27,32,33)
InChIKeyXTONQXPCSPXPBF-UHFFFAOYSA-N
MW549.72 g/mol
LogP3.21
Rot. Bonds9

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

N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 5016270) has the molecular formula C25H35N5O5S2 and a molecular weight of 549.72 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID5016270
Molecular FormulaC25H35N5O5S2
Molecular Weight549.72 g/mol
Exact Mass549.21
IUPAC NameN-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(=O)N(C)C)CCN(C)C3)cc1
InChIInChI=1S/C25H35N5O5S2/c1-6-13-30(14-7-2)37(34,35)18-10-8-17(9-11-18)22(31)26-24-21(23(32)27-25(33)28(3)4)19-12-15-29(5)16-20(19)36-24/h8-11H,6-7,12-16H2,1-5H3,(H,26,31)(H,27,32,33)
InChIKeyXTONQXPCSPXPBF-UHFFFAOYSA-N
XLogP3.21
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.72
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5221249
2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N,N,6-trimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951233
6-acetyl-2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4098966
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 N-[2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 5066291
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
2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3649730
2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951325
methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 4099561
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4055304
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806228
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

Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 5016270) is N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(=O)N(C)C)CCN(C)C3)cc1.
What is the InChIKey of N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is XTONQXPCSPXPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O5S2/c1-6-13-30(14-7-2)37(34,35)18-10-8-17(9-11-18)22(31)26-24-21(23(32)27-25(33)28(3)4)19-12-15-29(5)16-20(19)36-24/h8-11H,6-7,12-16H2,1-5H3,(H,26,31)(H,27,32,33).
What are the key properties of N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 549.72 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5016270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).