2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide

C24H25BrN2O4S — CID 100794075

IUPAC2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H25BrN2O4S/c1-18-4-6-19(7-5-18)16-27(32(29,30)23-14-8-20(25)9-15-23)17-24(28)26(2)21-10-12-22(31-3)13-11-21/h4-15H,16-17H2,1-3H3
InChIKeyNBTWAQQIUXPHBF-UHFFFAOYSA-N
MW517.45 g/mol
LogP4.62
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide

2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 100794075) has the molecular formula C24H25BrN2O4S and a molecular weight of 517.45 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
PubChem CID100794075
Molecular FormulaC24H25BrN2O4S
Molecular Weight517.45 g/mol
Exact Mass516.07
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H25BrN2O4S/c1-18-4-6-19(7-5-18)16-27(32(29,30)23-14-8-20(25)9-15-23)17-24(28)26(2)21-10-12-22(31-3)13-11-21/h4-15H,16-17H2,1-3H3
InChIKeyNBTWAQQIUXPHBF-UHFFFAOYSA-N
XLogP4.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795870
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N,N-diethylacetamide
CID 126091790
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100791352
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 100790216
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
CID 42111354
N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 24806524
2-[(4-bromophenyl)methyl-[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 132633425
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126064644
N-[(4-bromophenyl)methyl]-4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788500
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-N-methylacetamide
CID 100791896
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100792531

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide (CID 100794075) is 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(N(C)C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is NBTWAQQIUXPHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O4S/c1-18-4-6-19(7-5-18)16-27(32(29,30)23-14-8-20(25)9-15-23)17-24(28)26(2)21-10-12-22(31-3)13-11-21/h4-15H,16-17H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide?
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 517.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100794075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).