2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H23ClN2O3S — CID 28547172

IUPAC2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-2-23(27(25,26)17-12-10-16(21)11-13-17)14-20(24)22-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-13,19H,2,5,7,9,14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyRKWAOGKJBVTKCU-IBGZPJMESA-N
MW406.94 g/mol
LogP3.54
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 28547172) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID28547172
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-2-23(27(25,26)17-12-10-16(21)11-13-17)14-20(24)22-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-13,19H,2,5,7,9,14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyRKWAOGKJBVTKCU-IBGZPJMESA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43872076
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92645573
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30228496
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229056
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28543842
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92675186
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2546590
2-[4-(diethylsulfamoyl)-2-methylphenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873676
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55373450

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 28547172) is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is RKWAOGKJBVTKCU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-2-23(27(25,26)17-12-10-16(21)11-13-17)14-20(24)22-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-13,19H,2,5,7,9,14H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 406.94 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 28547172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).