4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C26H28N2O5S — CID 53279937

IUPAC4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCc4ccccc43)cc2)cc1OC
InChIInChI=1S/C26H28N2O5S/c1-28(34(30,31)21-15-16-24(32-2)25(17-21)33-3)20-13-11-19(12-14-20)26(29)27-23-10-6-8-18-7-4-5-9-22(18)23/h4-5,7,9,11-17,23H,6,8,10H2,1-3H3,(H,27,29)
InChIKeyQJFSLBKEBSRUHH-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.34
Rot. Bonds7

About 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 53279937) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID53279937
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCc4ccccc43)cc2)cc1OC
InChIInChI=1S/C26H28N2O5S/c1-28(34(30,31)21-15-16-24(32-2)25(17-21)33-3)20-13-11-19(12-14-20)26(29)27-23-10-6-8-18-7-4-5-9-22(18)23/h4-5,7,9,11-17,23H,6,8,10H2,1-3H3,(H,27,29)
InChIKeyQJFSLBKEBSRUHH-UHFFFAOYSA-N
XLogP4.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1294119
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544301
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301336
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544264
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28546713
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43889355
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30221208
4-propan-2-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51955051
1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 43873029

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 53279937) is 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCc4ccccc43)cc2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is QJFSLBKEBSRUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-28(34(30,31)21-15-16-24(32-2)25(17-21)33-3)20-13-11-19(12-14-20)26(29)27-23-10-6-8-18-7-4-5-9-22(18)23/h4-5,7,9,11-17,23H,6,8,10H2,1-3H3,(H,27,29).
What are the key properties of 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 480.59 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 53279937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).