N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C20H25BrN2O3S — CID 28546100

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C20H25BrN2O3S/c1-13-10-14(2)20(15(3)11-13)27(25,26)23(5)12-19(24)22-16(4)17-6-8-18(21)9-7-17/h6-11,16H,12H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyFDFQZZAINOCUQJ-INIZCTEOSA-N
MW453.40 g/mol
LogP3.87
Rot. Bonds6

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 28546100) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID28546100
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C20H25BrN2O3S/c1-13-10-14(2)20(15(3)11-13)27(25,26)23(5)12-19(24)22-16(4)17-6-8-18(21)9-7-17/h6-11,16H,12H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyFDFQZZAINOCUQJ-INIZCTEOSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546094
N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 43872231
N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 125062230
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165585
N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 43872610

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 28546100) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is FDFQZZAINOCUQJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-13-10-14(2)20(15(3)11-13)27(25,26)23(5)12-19(24)22-16(4)17-6-8-18(21)9-7-17/h6-11,16H,12H2,1-5H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 453.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 28546100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).