2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide

C20H24Cl2N2O3S — CID 133241754

IUPAC2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C)C(C)C)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-13(2)15(4)23-20(25)12-24(18-10-16(21)9-17(22)11-18)28(26,27)19-7-5-14(3)6-8-19/h5-11,13,15H,12H2,1-4H3,(H,23,25)
InChIKeyJVQMLVKESUGMEJ-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.66
Rot. Bonds7

About 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide

2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 133241754) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID133241754
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C)C(C)C)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-13(2)15(4)23-20(25)12-24(18-10-16(21)9-17(22)11-18)28(26,27)19-7-5-14(3)6-8-19/h5-11,13,15H,12H2,1-4H3,(H,23,25)
InChIKeyJVQMLVKESUGMEJ-UHFFFAOYSA-N
XLogP4.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30306959
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 124662515
N-(3-methylbutan-2-yl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 133240950
N-[(2S)-3-methylbutan-2-yl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 100562767
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249802
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43902492
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126317365
N-cyclopropyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344423
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133244931
N-[(2S)-3-methylbutan-2-yl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 100562884
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249804
N-[(2S)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 100562663

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide (CID 133241754) is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C(C)C)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is JVQMLVKESUGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-13(2)15(4)23-20(25)12-24(18-10-16(21)9-17(22)11-18)28(26,27)19-7-5-14(3)6-8-19/h5-11,13,15H,12H2,1-4H3,(H,23,25).
What are the key properties of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 443.40 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 133241754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).