2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide

C16H18BrClN2OS — CID 30962932

IUPAC2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1C)Cc1ccc(Br)s1
InChIInChI=1S/C16H18BrClN2OS/c1-3-20(9-12-7-8-15(17)22-12)10-16(21)19-14-6-4-5-13(18)11(14)2/h4-8H,3,9-10H2,1-2H3,(H,19,21)
InChIKeyCOESOKGBIIUWFW-UHFFFAOYSA-N
MW401.76 g/mol
LogP4.93
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide

2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 30962932) has the molecular formula C16H18BrClN2OS and a molecular weight of 401.76 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID30962932
Molecular FormulaC16H18BrClN2OS
Molecular Weight401.76 g/mol
Exact Mass400.00
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(Cl)c1C)Cc1ccc(Br)s1
InChIInChI=1S/C16H18BrClN2OS/c1-3-20(9-12-7-8-15(17)22-12)10-16(21)19-14-6-4-5-13(18)11(14)2/h4-8H,3,9-10H2,1-2H3,(H,19,21)
InChIKeyCOESOKGBIIUWFW-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.76
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717964
2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18191770
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
CID 108951094
N-(2,3-dimethylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717968
N-(3-chloro-2-methylphenyl)-2-(N-ethylanilino)acetamide
CID 54808857
2-[(4-bromophenyl)methyl-methylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2657306
2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9039378
N-(3-chloro-2-methylphenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692061
N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112543
methyl 2-[benzyl-[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetate
CID 47050174
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide (CID 30962932) is 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide is CCN(CC(=O)Nc1cccc(Cl)c1C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is COESOKGBIIUWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2OS/c1-3-20(9-12-7-8-15(17)22-12)10-16(21)19-14-6-4-5-13(18)11(14)2/h4-8H,3,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 401.76 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 30962932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).