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

C25H34N4O5S2 — CID 98150946

IUPAC5,5,7,7-tetramethyl-2-[[4-[methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1
InChIInChI=1S/C25H34N4O5S2/c1-24(2)13-18-19(21(26)30)23(35-20(18)25(3,4)28-24)27-22(31)15-8-10-17(11-9-15)36(32,33)29(5)14-16-7-6-12-34-16/h8-11,16,28H,6-7,12-14H2,1-5H3,(H2,26,30)(H,27,31)/t16-/m0/s1
InChIKeyQCIGODYCRXZSSC-INIZCTEOSA-N
MW534.70 g/mol
LogP3.06
Rot. Bonds7

About 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

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 (PubChem CID 98150946) has the molecular formula C25H34N4O5S2 and a molecular weight of 534.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-2-[[4-[methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID98150946
Molecular FormulaC25H34N4O5S2
Molecular Weight534.70 g/mol
Exact Mass534.20
IUPAC Name5,5,7,7-tetramethyl-2-[[4-[methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1
InChIInChI=1S/C25H34N4O5S2/c1-24(2)13-18-19(21(26)30)23(35-20(18)25(3,4)28-24)27-22(31)15-8-10-17(11-9-15)36(32,33)29(5)14-16-7-6-12-34-16/h8-11,16,28H,6-7,12-14H2,1-5H3,(H2,26,30)(H,27,31)/t16-/m0/s1
InChIKeyQCIGODYCRXZSSC-INIZCTEOSA-N
XLogP3.06
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.70
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

ethyl 5,5,7,7-tetramethyl-2-[[4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 93472601
2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CID 66981165
6-acetyl-2-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 16833682
methyl 4-[(3-carbamoyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate
CID 3663157
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
ethyl 2-[[4-(dipropylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 18558643
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
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 43937113
ethyl 2-[(4-ethylsulfonylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44989718
ethyl 4-cyano-3-methyl-5-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]thiophene-2-carboxylate
CID 43981369
N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
CID 7202655
ethyl 3-methyl-5-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-4-thiocyanatothiophene-2-carboxylate
CID 16833670

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1.
What is the InChIKey of 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?
The InChIKey is QCIGODYCRXZSSC-INIZCTEOSA-N. The full InChI is InChI=1S/C25H34N4O5S2/c1-24(2)13-18-19(21(26)30)23(35-20(18)25(3,4)28-24)27-22(31)15-8-10-17(11-9-15)36(32,33)29(5)14-16-7-6-12-34-16/h8-11,16,28H,6-7,12-14H2,1-5H3,(H2,26,30)(H,27,31)/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 534.70 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 98150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).