2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide

C15H14BrNO3S — CID 40525367

IUPAC2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[S@@](=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO3S/c1-20-13-6-4-12(5-7-13)17-15(18)10-21(19)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18)/t21-/m1/s1
InChIKeyKMYGKZMYOCAHOQ-OAQYLSRUSA-N
MW368.25 g/mol
LogP3.20
Rot. Bonds5

About 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide

2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 40525367) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
PubChem CID40525367
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[S@@](=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO3S/c1-20-13-6-4-12(5-7-13)17-15(18)10-21(19)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18)/t21-/m1/s1
InChIKeyKMYGKZMYOCAHOQ-OAQYLSRUSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-(3-fluorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 71283163
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetic acid
CID 854402
2-(4-bromoanilino)-2-oxoethanesulfinic acid
CID 175057456
N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947082
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40512822
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide
CID 63793167
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64641307
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 51415222

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide (CID 40525367) is 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[S@@](=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is KMYGKZMYOCAHOQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-20-13-6-4-12(5-7-13)17-15(18)10-21(19)14-8-2-11(16)3-9-14/h2-9H,10H2,1H3,(H,17,18)/t21-/m1/s1.
What are the key properties of 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide?
2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 368.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 40525367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).