4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

C29H30N4O6S2 — CID 66721703

IUPAC4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2c(C)oc(C)c2S(=O)(=O)NCc2cccs2)CC3)ccn1
InChIInChI=1S/C29H30N4O6S2/c1-17-26(27(18(2)38-17)41(36,37)32-16-24-5-4-12-40-24)29(35)33-21-8-6-19-7-9-22(14-20(19)13-21)39-23-10-11-31-25(15-23)28(34)30-3/h4-5,7,9-12,14-15,21,32H,6,8,13,16H2,1-3H3,(H,30,34)(H,33,35)
InChIKeyIOYPAFXSPSSXCX-UHFFFAOYSA-N
MW594.72 g/mol
LogP4.27
Rot. Bonds9

About 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 66721703) has the molecular formula C29H30N4O6S2 and a molecular weight of 594.72 g/mol. Its IUPAC name is 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID66721703
Molecular FormulaC29H30N4O6S2
Molecular Weight594.72 g/mol
Exact Mass594.16
IUPAC Name4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2c(C)oc(C)c2S(=O)(=O)NCc2cccs2)CC3)ccn1
InChIInChI=1S/C29H30N4O6S2/c1-17-26(27(18(2)38-17)41(36,37)32-16-24-5-4-12-40-24)29(35)33-21-8-6-19-7-9-22(14-20(19)13-21)39-23-10-11-31-25(15-23)28(34)30-3/h4-5,7,9-12,14-15,21,32H,6,8,13,16H2,1-3H3,(H,30,34)(H,33,35)
InChIKeyIOYPAFXSPSSXCX-UHFFFAOYSA-N
XLogP4.27
TPSA139.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.72
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721564
N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenoxypyridine-3-carboxamide
CID 66721366
4-[[7-(1,3-benzodioxole-5-carbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721708
N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721431
4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 66721610
4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721381
4-methoxy-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-2-carboxamide
CID 66721255
5-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indazole-3-carboxamide
CID 66721190
4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 58902434
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
N-methyl-4-[[7-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721472
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carboxamide
CID 60704921

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (CID 66721703) is 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2c(C)oc(C)c2S(=O)(=O)NCc2cccs2)CC3)ccn1.
What is the InChIKey of 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is IOYPAFXSPSSXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O6S2/c1-17-26(27(18(2)38-17)41(36,37)32-16-24-5-4-12-40-24)29(35)33-21-8-6-19-7-9-22(14-20(19)13-21)39-23-10-11-31-25(15-23)28(34)30-3/h4-5,7,9-12,14-15,21,32H,6,8,13,16H2,1-3H3,(H,30,34)(H,33,35).
What are the key properties of 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 594.72 g/mol, XLogP of 4.27, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 66721703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).