6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide

C27H26N4O6S2 — CID 59735836

IUPAC6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3cccnc3)cn2)c1
InChIInChI=1S/C27H26N4O6S2/c1-18(2)37-23-13-21(12-22(14-23)36-10-7-19-8-11-38-17-19)26(32)30-25-6-5-20(15-29-25)27(33)31-39(34,35)24-4-3-9-28-16-24/h3-6,8-9,11-18H,7,10H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyCXWZKVKZLJHYBI-UHFFFAOYSA-N
MW566.66 g/mol
LogP4.32
Rot. Bonds11

About 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide

6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide (PubChem CID 59735836) has the molecular formula C27H26N4O6S2 and a molecular weight of 566.66 g/mol. Its IUPAC name is 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide
PubChem CID59735836
Molecular FormulaC27H26N4O6S2
Molecular Weight566.66 g/mol
Exact Mass566.13
IUPAC Name6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3cccnc3)cn2)c1
InChIInChI=1S/C27H26N4O6S2/c1-18(2)37-23-13-21(12-22(14-23)36-10-7-19-8-11-38-17-19)26(32)30-25-6-5-20(15-29-25)27(33)31-39(34,35)24-4-3-9-28-16-24/h3-6,8-9,11-18H,7,10H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyCXWZKVKZLJHYBI-UHFFFAOYSA-N
XLogP4.32
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide with MolForge

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Related Compounds

N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide
CID 59735993
ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium
CID 67490617
N-acetylsulfinyl-6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide
CID 142213553
6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
CID 142197580
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
CID 73350645
N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
CID 142197494
6-(hydroxymethyl)-N-(4-propan-2-yloxyphenyl)sulfonylpyridine-3-carboxamide
CID 67865997
3-[(2-fluorophenyl)methoxy]-5-propan-2-yloxy-N-pyridin-2-ylbenzamide
CID 59735848
6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid
CID 73085606
methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 58852339
N-(5-phenyl-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 24949251
N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide
CID 59736028

Frequently Asked Questions

What is the IUPAC name of 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide (CID 59735836) is 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide is CC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3cccnc3)cn2)c1.
What is the InChIKey of 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide?
The InChIKey is CXWZKVKZLJHYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O6S2/c1-18(2)37-23-13-21(12-22(14-23)36-10-7-19-8-11-38-17-19)26(32)30-25-6-5-20(15-29-25)27(33)31-39(34,35)24-4-3-9-28-16-24/h3-6,8-9,11-18H,7,10H2,1-2H3,(H,31,33)(H,29,30,32).
What are the key properties of 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide?
6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide has a molecular weight of 566.66 g/mol, XLogP of 4.32, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-N-pyridin-3-ylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 59735836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).