2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H28N2O4S — CID 92645573

IUPAC2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H28N2O4S/c1-4-24(29(26,27)18-12-13-21(28-3)16(2)14-18)15-22(25)23-20-11-7-9-17-8-5-6-10-19(17)20/h5-6,8,10,12-14,20H,4,7,9,11,15H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeySJJICNVPTZDARM-HXUWFJFHSA-N
MW416.54 g/mol
LogP3.21
Rot. Bonds7

About 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 92645573) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID92645573
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H28N2O4S/c1-4-24(29(26,27)18-12-13-21(28-3)16(2)14-18)15-22(25)23-20-11-7-9-17-8-5-6-10-19(17)20/h5-6,8,10,12-14,20H,4,7,9,11,15H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeySJJICNVPTZDARM-HXUWFJFHSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28546713
2-[4-(diethylsulfamoyl)-2-methylphenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873676
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28547172
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2546590
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544264
N-cyclopentyl-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645415
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28544301
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43896966
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967556
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28548851

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 92645573) is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CCN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is SJJICNVPTZDARM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-24(29(26,27)18-12-13-21(28-3)16(2)14-18)15-22(25)23-20-11-7-9-17-8-5-6-10-19(17)20/h5-6,8,10,12-14,20H,4,7,9,11,15H2,1-3H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 92645573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).