2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide

C21H27ClN2O3S — CID 30216682

IUPAC2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-6-21(4,5)23-20(25)14-24(19-13-17(22)10-9-16(19)3)28(26,27)18-11-7-15(2)8-12-18/h7-13H,6,14H2,1-5H3,(H,23,25)
InChIKeyBTPRRCPREBJBGX-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.46
Rot. Bonds7

About 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide

2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 30216682) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID30216682
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-6-21(4,5)23-20(25)14-24(19-13-17(22)10-9-16(19)3)28(26,27)18-11-7-15(2)8-12-18/h7-13H,6,14H2,1-5H3,(H,23,25)
InChIKeyBTPRRCPREBJBGX-UHFFFAOYSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 53279305
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 53279384
3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 53279414
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 6555140
N-(5-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1248067
N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 846688
N-cyclopropyl-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24776179
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305110
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43894892

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide (CID 30216682) is 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is BTPRRCPREBJBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-6-21(4,5)23-20(25)14-24(19-13-17(22)10-9-16(19)3)28(26,27)18-11-7-15(2)8-12-18/h7-13H,6,14H2,1-5H3,(H,23,25).
What are the key properties of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 422.98 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 30216682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).