N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide

C18H20BrNO2S — CID 84884812

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(C(C)NC(=O)CSc2ccccc2C)cc1Br
InChIInChI=1S/C18H20BrNO2S/c1-12-6-4-5-7-17(12)23-11-18(21)20-13(2)14-8-9-16(22-3)15(19)10-14/h4-10,13H,11H2,1-3H3,(H,20,21)
InChIKeyDDPWKJQSKOHGGU-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.74
Rot. Bonds6

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 84884812) has the molecular formula C18H20BrNO2S and a molecular weight of 394.33 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID84884812
Molecular FormulaC18H20BrNO2S
Molecular Weight394.33 g/mol
Exact Mass393.04
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(C(C)NC(=O)CSc2ccccc2C)cc1Br
InChIInChI=1S/C18H20BrNO2S/c1-12-6-4-5-7-17(12)23-11-18(21)20-13(2)14-8-9-16(22-3)15(19)10-14/h4-10,13H,11H2,1-3H3,(H,20,21)
InChIKeyDDPWKJQSKOHGGU-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9218856
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 8963294
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide (CID 84884812) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide is COc1ccc(C(C)NC(=O)CSc2ccccc2C)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is DDPWKJQSKOHGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2S/c1-12-6-4-5-7-17(12)23-11-18(21)20-13(2)14-8-9-16(22-3)15(19)10-14/h4-10,13H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 394.33 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 84884812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).