N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C24H24BrClN2O3S — CID 43871665

IUPACN-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2cccc(Br)c2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24BrClN2O3S/c1-17-6-12-23(13-7-17)32(30,31)28(15-19-8-10-22(26)11-9-19)16-24(29)27-18(2)20-4-3-5-21(25)14-20/h3-14,18H,15-16H2,1-2H3,(H,27,29)
InChIKeyNAEFCCBLDRLULB-UHFFFAOYSA-N
MW535.89 g/mol
LogP5.48
Rot. Bonds8

About N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 43871665) has the molecular formula C24H24BrClN2O3S and a molecular weight of 535.89 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID43871665
Molecular FormulaC24H24BrClN2O3S
Molecular Weight535.89 g/mol
Exact Mass534.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2cccc(Br)c2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24BrClN2O3S/c1-17-6-12-23(13-7-17)32(30,31)28(15-19-8-10-22(26)11-9-19)16-24(29)27-18(2)20-4-3-5-21(25)14-20/h3-14,18H,15-16H2,1-2H3,(H,27,29)
InChIKeyNAEFCCBLDRLULB-UHFFFAOYSA-N
XLogP5.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.89
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 28543712
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28543715
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]acetamide
CID 94861224
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43871639
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 94861461
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 94861120
N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43871955
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 94861239
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28544716
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 99865843
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 43871665) is N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2cccc(Br)c2)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is NAEFCCBLDRLULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O3S/c1-17-6-12-23(13-7-17)32(30,31)28(15-19-8-10-22(26)11-9-19)16-24(29)27-18(2)20-4-3-5-21(25)14-20/h3-14,18H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 535.89 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 43871665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).