2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

C19H20BrClN2O2S — CID 16552639

IUPAC2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C19H20BrClN2O2S/c1-2-23(19(25)13-26-17-9-5-15(20)6-10-17)12-18(24)22-11-14-3-7-16(21)8-4-14/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyURXMYFHVWWBHJG-UHFFFAOYSA-N
MW455.81 g/mol
LogP4.36
Rot. Bonds8

About 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 16552639) has the molecular formula C19H20BrClN2O2S and a molecular weight of 455.81 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID16552639
Molecular FormulaC19H20BrClN2O2S
Molecular Weight455.81 g/mol
Exact Mass454.01
IUPAC Name2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C19H20BrClN2O2S/c1-2-23(19(25)13-26-17-9-5-15(20)6-10-17)12-18(24)22-11-14-3-7-16(21)8-4-14/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyURXMYFHVWWBHJG-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1120653
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CID 24687344
CID 24687344
CID 3456811
CID 3456811
CID 24818026
CID 24818026
CID 24982639
CID 24982639
CID 16552638
CID 16552638
CID 16552641
CID 16552641
CID 24982395
CID 24982395
CID 4444449
CID 4444449
CID 7501185
CID 7501185
CID 7950390
CID 7950390
CID 8126197
CID 8126197

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (CID 16552639) is 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is URXMYFHVWWBHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O2S/c1-2-23(19(25)13-26-17-9-5-15(20)6-10-17)12-18(24)22-11-14-3-7-16(21)8-4-14/h3-10H,2,11-13H2,1H3,(H,22,24).
What are the key properties of 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 455.81 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)sulfanylacetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 16552639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).