2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C22H26Cl2N2O3S — CID 133191219

IUPAC2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H26Cl2N2O3S/c1-3-19(17-12-11-15-7-4-5-8-16(15)13-17)25-21(27)14-26(30(2,28)29)20-10-6-9-18(23)22(20)24/h6,9-13,19H,3-5,7-8,14H2,1-2H3,(H,25,27)
InChIKeyPBOXHGAUMAIFBB-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.91
Rot. Bonds7

About 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 133191219) has the molecular formula C22H26Cl2N2O3S and a molecular weight of 469.43 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
PubChem CID133191219
Molecular FormulaC22H26Cl2N2O3S
Molecular Weight469.43 g/mol
Exact Mass468.10
IUPAC Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H26Cl2N2O3S/c1-3-19(17-12-11-15-7-4-5-8-16(15)13-17)25-21(27)14-26(30(2,28)29)20-10-6-9-18(23)22(20)24/h6,9-13,19H,3-5,7-8,14H2,1-2H3,(H,25,27)
InChIKeyPBOXHGAUMAIFBB-UHFFFAOYSA-N
XLogP4.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191306
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191288
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191693
2-(2-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 99958229
2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191316
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133188872
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191155
N-[(1S)-1-phenylpropyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30394084
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
2-(2-chloro-N-methylsulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161076
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191102

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 133191219) is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CCC(NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The InChIKey is PBOXHGAUMAIFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3S/c1-3-19(17-12-11-15-7-4-5-8-16(15)13-17)25-21(27)14-26(30(2,28)29)20-10-6-9-18(23)22(20)24/h6,9-13,19H,3-5,7-8,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 469.43 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 133191219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).