N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide

C20H25BrN2O3S — CID 10366639

IUPACN-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(OC)c(OCSc2ccccc2Br)c1
InChIInChI=1S/C20H25BrN2O3S/c1-4-23(5-2)13-20(24)22-15-10-11-17(25-3)18(12-15)26-14-27-19-9-7-6-8-16(19)21/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyLZQXSNRCUDXNSY-UHFFFAOYSA-N
MW453.40 g/mol
LogP4.87
Rot. Bonds10

About N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide

N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide (PubChem CID 10366639) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide
PubChem CID10366639
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC NameN-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(OC)c(OCSc2ccccc2Br)c1
InChIInChI=1S/C20H25BrN2O3S/c1-4-23(5-2)13-20(24)22-15-10-11-17(25-3)18(12-15)26-14-27-19-9-7-6-8-16(19)21/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyLZQXSNRCUDXNSY-UHFFFAOYSA-N
XLogP4.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 47089567
N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119419045
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 78823396
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
2-[(3-bromo-4-methoxyphenyl)methyl-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 112796430
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide (CID 10366639) is N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1ccc(OC)c(OCSc2ccccc2Br)c1.
What is the InChIKey of N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide?
The InChIKey is LZQXSNRCUDXNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-4-23(5-2)13-20(24)22-15-10-11-17(25-3)18(12-15)26-14-27-19-9-7-6-8-16(19)21/h6-12H,4-5,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide?
N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide has a molecular weight of 453.40 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 10366639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).