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

C26H37N5O7S2 — CID 5164057

IUPAC2-[[4-[bis(2-methoxyethyl)sulfamoyl]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(CCOC)CCOC)cc3)c2C(=O)NC(=O)NC)C1
InChIInChI=1S/C26H37N5O7S2/c1-5-11-30-12-10-20-21(17-30)39-25(22(20)24(33)29-26(34)27-2)28-23(32)18-6-8-19(9-7-18)40(35,36)31(13-15-37-3)14-16-38-4/h6-9H,5,10-17H2,1-4H3,(H,28,32)(H2,27,29,33,34)
InChIKeyLBOLLTWAFNDKFP-UHFFFAOYSA-N
MW595.74 g/mol
LogP2.12
Rot. Bonds13

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

2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 5164057) has the molecular formula C26H37N5O7S2 and a molecular weight of 595.74 g/mol. Its IUPAC name is 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID5164057
Molecular FormulaC26H37N5O7S2
Molecular Weight595.74 g/mol
Exact Mass595.21
IUPAC Name2-[[4-[bis(2-methoxyethyl)sulfamoyl]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(CCOC)CCOC)cc3)c2C(=O)NC(=O)NC)C1
InChIInChI=1S/C26H37N5O7S2/c1-5-11-30-12-10-20-21(17-30)39-25(22(20)24(33)29-26(34)27-2)28-23(32)18-6-8-19(9-7-18)40(35,36)31(13-15-37-3)14-16-38-4/h6-9H,5,10-17H2,1-4H3,(H,28,32)(H2,27,29,33,34)
InChIKeyLBOLLTWAFNDKFP-UHFFFAOYSA-N
XLogP2.12
TPSA146.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.74
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[4-(diethylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5106108
N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5221249
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3281786
6-benzyl-2-[[4-(dibutylsulfamoyl)benzoyl]amino]-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5053460
methyl N-[2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 4099561
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
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-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4144655
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-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
2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3649730

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 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) is 2-[[4-[bis(2-methoxyethyl)sulfamoyl]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-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-[bis(2-methoxyethyl)sulfamoyl]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(CCOC)CCOC)cc3)c2C(=O)NC(=O)NC)C1.
What is the InChIKey of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is LBOLLTWAFNDKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O7S2/c1-5-11-30-12-10-20-21(17-30)39-25(22(20)24(33)29-26(34)27-2)28-23(32)18-6-8-19(9-7-18)40(35,36)31(13-15-37-3)14-16-38-4/h6-9H,5,10-17H2,1-4H3,(H,28,32)(H2,27,29,33,34).
What are the key properties of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 595.74 g/mol, XLogP of 2.12, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-(methylcarbamoyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5164057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).