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

C28H42N4O6S2 — CID 43951563

IUPAC2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C(C)C)C2
InChIInChI=1S/C28H42N4O6S2/c1-7-30(8-2)28(34)25-23-13-14-31(20(3)4)19-24(23)39-27(25)29-26(33)21-9-11-22(12-10-21)40(35,36)32(15-17-37-5)16-18-38-6/h9-12,20H,7-8,13-19H2,1-6H3,(H,29,33)
InChIKeySKFZYKKEPWIHDK-UHFFFAOYSA-N
MW594.80 g/mol
LogP3.53
Rot. Bonds14

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

2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43951563) has the molecular formula C28H42N4O6S2 and a molecular weight of 594.80 g/mol. Its IUPAC name is 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID43951563
Molecular FormulaC28H42N4O6S2
Molecular Weight594.80 g/mol
Exact Mass594.25
IUPAC Name2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C(C)C)C2
InChIInChI=1S/C28H42N4O6S2/c1-7-30(8-2)28(34)25-23-13-14-31(20(3)4)19-24(23)39-27(25)29-26(33)21-9-11-22(12-10-21)40(35,36)32(15-17-37-5)16-18-38-6/h9-12,20H,7-8,13-19H2,1-6H3,(H,29,33)
InChIKeySKFZYKKEPWIHDK-UHFFFAOYSA-N
XLogP3.53
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

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
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-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951547
2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951564
N,N-diethyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951551
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
2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4097335
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951562
methyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 16806147
2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4181548
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-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951517

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43951563) is 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-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,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN(CC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C(C)C)C2.
What is the InChIKey of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is SKFZYKKEPWIHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O6S2/c1-7-30(8-2)28(34)25-23-13-14-31(20(3)4)19-24(23)39-27(25)29-26(33)21-9-11-22(12-10-21)40(35,36)32(15-17-37-5)16-18-38-6/h9-12,20H,7-8,13-19H2,1-6H3,(H,29,33).
What are the key properties of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 594.80 g/mol, XLogP of 3.53, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43951563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).