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

C18H21BrN2O4S — CID 28544990

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-13(16-6-4-5-7-17(16)25-3)20-18(22)12-21(2)26(23,24)15-10-8-14(19)9-11-15/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyYPTWFPDSEGYFAY-ZDUSSCGKSA-N
MW441.35 g/mol
LogP2.96
Rot. Bonds7

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

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28544990) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID28544990
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-13(16-6-4-5-7-17(16)25-3)20-18(22)12-21(2)26(23,24)15-10-8-14(19)9-11-15/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyYPTWFPDSEGYFAY-ZDUSSCGKSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26618752
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546628
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 94861131
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100546093
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 94861292
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55706414
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144672
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28544990) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is YPTWFPDSEGYFAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-13(16-6-4-5-7-17(16)25-3)20-18(22)12-21(2)26(23,24)15-10-8-14(19)9-11-15/h4-11,13H,12H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 441.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28544990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).