N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide

C17H18Br2N2O3S — CID 28544998

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
SMILESC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H18Br2N2O3S/c1-12(13-4-3-5-15(19)10-13)20-17(22)11-21(2)25(23,24)16-8-6-14(18)7-9-16/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyVNXGWRKOKYHNFM-LBPRGKRZSA-N
MW490.22 g/mol
LogP3.71
Rot. Bonds6

About N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide (PubChem CID 28544998) has the molecular formula C17H18Br2N2O3S and a molecular weight of 490.22 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
PubChem CID28544998
Molecular FormulaC17H18Br2N2O3S
Molecular Weight490.22 g/mol
Exact Mass487.94
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
SMILESC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H18Br2N2O3S/c1-12(13-4-3-5-15(19)10-13)20-17(22)11-21(2)25(23,24)16-8-6-14(18)7-9-16/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyVNXGWRKOKYHNFM-LBPRGKRZSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 94861120
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-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 43871726
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861136
2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891541
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55706414
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 99865843
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544990

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide (CID 28544998) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide is C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is VNXGWRKOKYHNFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18Br2N2O3S/c1-12(13-4-3-5-15(19)10-13)20-17(22)11-21(2)25(23,24)16-8-6-14(18)7-9-16/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 490.22 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 28544998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).