N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C25H27BrN2O3S — CID 126371728

IUPACN-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C25H27BrN2O3S/c1-18-14-19(2)25(20(3)15-18)32(30,31)28(13-12-21-8-5-4-6-9-21)17-24(29)27-23-11-7-10-22(26)16-23/h4-11,14-16H,12-13,17H2,1-3H3,(H,27,29)
InChIKeyDJMVEPDTNHJPMM-UHFFFAOYSA-N
MW515.47 g/mol
LogP5.25
Rot. Bonds8

About N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 126371728) has the molecular formula C25H27BrN2O3S and a molecular weight of 515.47 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID126371728
Molecular FormulaC25H27BrN2O3S
Molecular Weight515.47 g/mol
Exact Mass514.09
IUPAC NameN-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C25H27BrN2O3S/c1-18-14-19(2)25(20(3)15-18)32(30,31)28(13-12-21-8-5-4-6-9-21)17-24(29)27-23-11-7-10-22(26)16-23/h4-11,14-16H,12-13,17H2,1-3H3,(H,27,29)
InChIKeyDJMVEPDTNHJPMM-UHFFFAOYSA-N
XLogP5.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371884
N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 989293
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373087
N-(3-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360277
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100795024
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 2202483
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27036482
N,N-diethyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373099
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782385

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 126371728) is N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(Br)c2)c(C)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is DJMVEPDTNHJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O3S/c1-18-14-19(2)25(20(3)15-18)32(30,31)28(13-12-21-8-5-4-6-9-21)17-24(29)27-23-11-7-10-22(26)16-23/h4-11,14-16H,12-13,17H2,1-3H3,(H,27,29).
What are the key properties of N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 515.47 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126371728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).