2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide

C27H23BrN2O3S2 — CID 126278937

IUPAC2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H23BrN2O3S2/c1-20-11-17-24(18-12-20)35(32,33)30(22-15-13-21(28)14-16-22)19-27(31)29-25-9-5-6-10-26(25)34-23-7-3-2-4-8-23/h2-18H,19H2,1H3,(H,29,31)
InChIKeySHXCCEHILINEKH-UHFFFAOYSA-N
MW567.53 g/mol
LogP6.74
Rot. Bonds8

About 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide

2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 126278937) has the molecular formula C27H23BrN2O3S2 and a molecular weight of 567.53 g/mol. Its IUPAC name is 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID126278937
Molecular FormulaC27H23BrN2O3S2
Molecular Weight567.53 g/mol
Exact Mass566.03
IUPAC Name2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C27H23BrN2O3S2/c1-20-11-17-24(18-12-20)35(32,33)30(22-15-13-21(28)14-16-22)19-27(31)29-25-9-5-6-10-26(25)34-23-7-3-2-4-8-23/h2-18H,19H2,1H3,(H,29,31)
InChIKeySHXCCEHILINEKH-UHFFFAOYSA-N
XLogP6.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.53
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 126317339
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 51344158
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1118149
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 30306819
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
CID 126032170
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 126274060
2-[[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126034892
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 21372798
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94863984
N-(2-ethylsulfanylphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92681759

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide (CID 126278937) is 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is SHXCCEHILINEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrN2O3S2/c1-20-11-17-24(18-12-20)35(32,33)30(22-15-13-21(28)14-16-22)19-27(31)29-25-9-5-6-10-26(25)34-23-7-3-2-4-8-23/h2-18H,19H2,1H3,(H,29,31).
What are the key properties of 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 567.53 g/mol, XLogP of 6.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 126278937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).