N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide

C20H19BrN2O3S2 — CID 15990954

IUPACN-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H19BrN2O3S2/c1-14-5-8-17(9-6-14)23(28(25,26)20-4-3-11-27-20)13-19(24)22-16-7-10-18(21)15(2)12-16/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyLJZQLUFAEWDYEB-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.96
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide

N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 15990954) has the molecular formula C20H19BrN2O3S2 and a molecular weight of 479.42 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID15990954
Molecular FormulaC20H19BrN2O3S2
Molecular Weight479.42 g/mol
Exact Mass478.00
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H19BrN2O3S2/c1-14-5-8-17(9-6-14)23(28(25,26)20-4-3-11-27-20)13-19(24)22-16-7-10-18(21)15(2)12-16/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyLJZQLUFAEWDYEB-UHFFFAOYSA-N
XLogP4.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-(4-Bromo-3-methylphenyl)-1-[(5-bromothiophen-2-YL)sulfonyl]piperidine-3-carboxamide
CID 15989602
2-[(4-methylphenyl)(thien-2-ylsulfonyl)amino]-N-(thien-2-ylmethyl)acetamide
CID 3236370
5-bromo-N-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}thiophene-2-sulfonamide
CID 3239931
N~1~-(3-fluoro-4-methylphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3245041
N-(3,4-dimethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 3605123
N~1~-(3-ethylphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 4318849
2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 4801274
N-[(4-Fluorophenyl)methyl]-2-[N-(4-methylphenyl)thiophene-2-sulfonamido]acetamide
CID 9550282
N-(4-Bromo-3-methylphenyl)-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
CID 15988742
N-(4-Bromo-3-methylphenyl)-4-[(5-bromothiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 15989658
4-[(5-Bromothiophene-2-sulfonamido)methyl]-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 15989699

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide (CID 15990954) is N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is LJZQLUFAEWDYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3S2/c1-14-5-8-17(9-6-14)23(28(25,26)20-4-3-11-27-20)13-19(24)22-16-7-10-18(21)15(2)12-16/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide?
N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 479.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 15990954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).