4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide

C22H28N4O5S2 — CID 3587498

IUPAC4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C)C3)cc1
InChIInChI=1S/C22H28N4O5S2/c1-25-9-8-18-19(14-23)22(32-20(18)15-25)24-21(27)16-4-6-17(7-5-16)33(28,29)26(10-12-30-2)11-13-31-3/h4-7H,8-13,15H2,1-3H3,(H,24,27)
InChIKeyUQMQTFBMCNXFQI-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.14
Rot. Bonds10

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide (PubChem CID 3587498) has the molecular formula C22H28N4O5S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
PubChem CID3587498
Molecular FormulaC22H28N4O5S2
Molecular Weight492.62 g/mol
Exact Mass492.15
IUPAC Name4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C)C3)cc1
InChIInChI=1S/C22H28N4O5S2/c1-25-9-8-18-19(14-23)22(32-20(18)15-25)24-21(27)16-4-6-17(7-5-16)33(28,29)26(10-12-30-2)11-13-31-3/h4-7H,8-13,15H2,1-3H3,(H,24,27)
InChIKeyUQMQTFBMCNXFQI-UHFFFAOYSA-N
XLogP2.14
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3649730
4-[bis(2-methoxyethyl)sulfamoyl]-N-[6-methyl-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 43951316
4-[bis(2-methoxyethyl)sulfamoyl]-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 27603444
ethyl 3-cyano-2-[[4-(dibutylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 5206093
methyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993957
ethyl 3-cyano-2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 5069614
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4055304
4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44827026
N-(dimethylcarbamoyl)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5016270
methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 16806159
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-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[benzyl(ethyl)sulfamoyl]benzamide
CID 3630550

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide (CID 3587498) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C)C3)cc1.
What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
The InChIKey is UQMQTFBMCNXFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S2/c1-25-9-8-18-19(14-23)22(32-20(18)15-25)24-21(27)16-4-6-17(7-5-16)33(28,29)26(10-12-30-2)11-13-31-3/h4-7H,8-13,15H2,1-3H3,(H,24,27).
What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide has a molecular weight of 492.62 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 3587498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).