2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide

C17H15BrClNO2S — CID 2301951

IUPAC2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrClNO2S/c1-11-14(19)3-2-4-15(11)20-17(22)10-23-9-16(21)12-5-7-13(18)8-6-12/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyIWKZKOMNLSQDOP-UHFFFAOYSA-N
MW412.74 g/mol
LogP4.97
Rot. Bonds6

About 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide

2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 2301951) has the molecular formula C17H15BrClNO2S and a molecular weight of 412.74 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID2301951
Molecular FormulaC17H15BrClNO2S
Molecular Weight412.74 g/mol
Exact Mass410.97
IUPAC Name2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CSCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrClNO2S/c1-11-14(19)3-2-4-15(11)20-17(22)10-23-9-16(21)12-5-7-13(18)8-6-12/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyIWKZKOMNLSQDOP-UHFFFAOYSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.74
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-phenacylsulfanylacetamide
CID 704439
N-(3-acetylphenyl)-2-[(4-bromobenzyl)thio]acetamide
CID 1248089
1-(4-Bromophenyl)-3-[(3-chlorophenyl)amino]-2-buten-1-one
CID 5734170
1-(4-Bromophenyl)-3-[(4-chlorophenyl)amino]-2-buten-1-one
CID 5734176
4-Bromo-N-(3-chlorophenyl)benzamide
CID 532152
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]acetamide
CID 1548379
1-[2-(4-Bromophenyl)-7-chloro-4-methyl-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone
CID 42643455
7-bromo-N-(3-chlorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 145954362
4-bromo-N-(5-chloro-2-methylphenyl)benzamide
CID 691019
3-bromo-N-(3-chloro-2-methylphenyl)benzamide
CID 765021
1-(4-Bromophenyl)-3-(3-chloro-4-methylanilino)-1-propanone
CID 4120769
3-(2-Bromophenyl)-N-(3-chloro-2-methylphenyl)propanamide
CID 24212878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide (CID 2301951) is 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)CSCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is IWKZKOMNLSQDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO2S/c1-11-14(19)3-2-4-15(11)20-17(22)10-23-9-16(21)12-5-7-13(18)8-6-12/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide?
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 412.74 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 2301951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).