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

C27H39N5O5S2 — CID 5221249

IUPACN-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCC)CCC)cc3)c2C(=O)NC(=O)N(C)C)C1
InChIInChI=1S/C27H39N5O5S2/c1-6-14-31-17-13-21-22(18-31)38-26(23(21)25(34)29-27(35)30(4)5)28-24(33)19-9-11-20(12-10-19)39(36,37)32(15-7-2)16-8-3/h9-12H,6-8,13-18H2,1-5H3,(H,28,33)(H,29,34,35)
InChIKeyXPOQSMQFWJAEIM-UHFFFAOYSA-N
MW577.77 g/mol
LogP3.99
Rot. Bonds11

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

N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 5221249) has the molecular formula C27H39N5O5S2 and a molecular weight of 577.77 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID5221249
Molecular FormulaC27H39N5O5S2
Molecular Weight577.77 g/mol
Exact Mass577.24
IUPAC NameN-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCC)CCC)cc3)c2C(=O)NC(=O)N(C)C)C1
InChIInChI=1S/C27H39N5O5S2/c1-6-14-31-17-13-21-22(18-31)38-26(23(21)25(34)29-27(35)30(4)5)28-24(33)19-9-11-20(12-10-19)39(36,37)32(15-7-2)16-8-3/h9-12H,6-8,13-18H2,1-5H3,(H,28,33)(H,29,34,35)
InChIKeyXPOQSMQFWJAEIM-UHFFFAOYSA-N
XLogP3.99
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.77
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5164057
2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5106108
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-(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
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
6-benzyl-2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4987265
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
N-[3-(acetamidocarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 5164116
ethyl N-[2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 5098222

Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 5221249) is N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-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-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCC)CCC)cc3)c2C(=O)NC(=O)N(C)C)C1.
What is the InChIKey of N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is XPOQSMQFWJAEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O5S2/c1-6-14-31-17-13-21-22(18-31)38-26(23(21)25(34)29-27(35)30(4)5)28-24(33)19-9-11-20(12-10-19)39(36,37)32(15-7-2)16-8-3/h9-12H,6-8,13-18H2,1-5H3,(H,28,33)(H,29,34,35).
What are the key properties of N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 577.77 g/mol, XLogP of 3.99, 11 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-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5221249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).