N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide

C28H23BrCl2N2O4S — CID 20850921

IUPACN-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(Cl)c(NCC(=O)Nc3ccc(Br)cc3)cc(OCc3ccccc3)c2Cl)cc1
InChIInChI=1S/C28H23BrCl2N2O4S/c1-18-7-13-22(14-8-18)38(35,36)28-26(30)23(32-16-25(34)33-21-11-9-20(29)10-12-21)15-24(27(28)31)37-17-19-5-3-2-4-6-19/h2-15,32H,16-17H2,1H3,(H,33,34)
InChIKeyKIVQGWYJKQLURQ-UHFFFAOYSA-N
MW634.38 g/mol
LogP7.53
Rot. Bonds9

About N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide

N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide (PubChem CID 20850921) has the molecular formula C28H23BrCl2N2O4S and a molecular weight of 634.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide
PubChem CID20850921
Molecular FormulaC28H23BrCl2N2O4S
Molecular Weight634.38 g/mol
Exact Mass631.99
IUPAC NameN-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(Cl)c(NCC(=O)Nc3ccc(Br)cc3)cc(OCc3ccccc3)c2Cl)cc1
InChIInChI=1S/C28H23BrCl2N2O4S/c1-18-7-13-22(14-8-18)38(35,36)28-26(30)23(32-16-25(34)33-21-11-9-20(29)10-12-21)15-24(27(28)31)37-17-19-5-3-2-4-6-19/h2-15,32H,16-17H2,1H3,(H,33,34)
InChIKeyKIVQGWYJKQLURQ-UHFFFAOYSA-N
XLogP7.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.38
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid
CID 20850908
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
CID 22304187
2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 22304597
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54819265
2-[[2-[3-bromo-2-(4-methylphenyl)sulfonylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 22307585
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
CID 22304342
N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816643
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide (CID 20850921) is N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide is Cc1ccc(S(=O)(=O)c2c(Cl)c(NCC(=O)Nc3ccc(Br)cc3)cc(OCc3ccccc3)c2Cl)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide?
The InChIKey is KIVQGWYJKQLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrCl2N2O4S/c1-18-7-13-22(14-8-18)38(35,36)28-26(30)23(32-16-25(34)33-21-11-9-20(29)10-12-21)15-24(27(28)31)37-17-19-5-3-2-4-6-19/h2-15,32H,16-17H2,1H3,(H,33,34).
What are the key properties of N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide?
N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide has a molecular weight of 634.38 g/mol, XLogP of 7.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide is sourced from PubChem (CID 20850921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).