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

C26H36N4O4S2 — CID 66981165

IUPAC2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)NCC4CCCCC4)cc3)c2C(N)=O)C(C)(C)N1
InChIInChI=1S/C26H36N4O4S2/c1-25(2)14-19-20(22(27)31)24(35-21(19)26(3,4)30-25)29-23(32)17-10-12-18(13-11-17)36(33,34)28-15-16-8-6-5-7-9-16/h10-13,16,28,30H,5-9,14-15H2,1-4H3,(H2,27,31)(H,29,32)
InChIKeyXFPAWXVMVIZPDA-UHFFFAOYSA-N
MW532.73 g/mol
LogP4.12
Rot. Bonds7

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

2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 66981165) has the molecular formula C26H36N4O4S2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID66981165
Molecular FormulaC26H36N4O4S2
Molecular Weight532.73 g/mol
Exact Mass532.22
IUPAC Name2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)NCC4CCCCC4)cc3)c2C(N)=O)C(C)(C)N1
InChIInChI=1S/C26H36N4O4S2/c1-25(2)14-19-20(22(27)31)24(35-21(19)26(3,4)30-25)29-23(32)17-10-12-18(13-11-17)36(33,34)28-15-16-8-6-5-7-9-16/h10-13,16,28,30H,5-9,14-15H2,1-4H3,(H2,27,31)(H,29,32)
InChIKeyXFPAWXVMVIZPDA-UHFFFAOYSA-N
XLogP4.12
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.73
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5,5,7,7-tetramethyl-2-[[4-[methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CID 98150946
ethyl 2-[(4-ethylsulfonylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44989718
ethyl 2-[[4-(dipropylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 18558643
4-[bis(2-methylpropyl)sulfamoyl]-N-[5,5,7,7-tetramethyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydrothieno[2,3-c]pyridin-2-yl]benzamide
CID 23793326
methyl 2-[[4-[bis(prop-2-enyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 3298606
ethyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 18558645
methyl 2-[(4-fluorobenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 5195126
methyl 2-[(4-butoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4060868
5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CID 3408349
ethyl 2-[(3,4-diethoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 43952470
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 652627

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (CID 66981165) is 2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is CC1(C)Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)NCC4CCCCC4)cc3)c2C(N)=O)C(C)(C)N1.
What is the InChIKey of 2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is XFPAWXVMVIZPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4S2/c1-25(2)14-19-20(22(27)31)24(35-21(19)26(3,4)30-25)29-23(32)17-10-12-18(13-11-17)36(33,34)28-15-16-8-6-5-7-9-16/h10-13,16,28,30H,5-9,14-15H2,1-4H3,(H2,27,31)(H,29,32).
What are the key properties of 2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
2-[[4-(cyclohexylmethylsulfamoyl)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 4.12, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 66981165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).