2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide

C26H36N4O4S2 — CID 3311528

IUPAC2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1
InChIInChI=1S/C26H36N4O4S2/c1-25(2)15-19-20(22(27)31)24(35-21(19)26(3,4)29-25)28-23(32)16-11-13-18(14-12-16)36(33,34)30(5)17-9-7-6-8-10-17/h11-14,17,29H,6-10,15H2,1-5H3,(H2,27,31)(H,28,32)
InChIKeyRXSRDKXZVLHOCO-UHFFFAOYSA-N
MW532.73 g/mol
LogP4.21
Rot. Bonds6

About 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide

2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3311528) has the molecular formula C26H36N4O4S2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID3311528
Molecular FormulaC26H36N4O4S2
Molecular Weight532.73 g/mol
Exact Mass532.22
IUPAC Name2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1
InChIInChI=1S/C26H36N4O4S2/c1-25(2)15-19-20(22(27)31)24(35-21(19)26(3,4)29-25)28-23(32)16-11-13-18(14-12-16)36(33,34)30(5)17-9-7-6-8-10-17/h11-14,17,29H,6-10,15H2,1-5H3,(H2,27,31)(H,28,32)
InChIKeyRXSRDKXZVLHOCO-UHFFFAOYSA-N
XLogP4.21
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.73
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (CID 3311528) is 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1.
What is the InChIKey of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is RXSRDKXZVLHOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4S2/c1-25(2)15-19-20(22(27)31)24(35-21(19)26(3,4)29-25)28-23(32)16-11-13-18(14-12-16)36(33,34)30(5)17-9-7-6-8-10-17/h11-14,17,29H,6-10,15H2,1-5H3,(H2,27,31)(H,28,32).
What are the key properties of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 532.73 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3311528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).