N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide

C16H16BrNO2S — CID 18586323

IUPACN-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO2S/c1-20-14-6-8-15(9-7-14)21-11-10-16(19)18-13-4-2-12(17)3-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyGQEDSERREAIGQN-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.58
Rot. Bonds6

About N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide

N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 18586323) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID18586323
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC NameN-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO2S/c1-20-14-6-8-15(9-7-14)21-11-10-16(19)18-13-4-2-12(17)3-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyGQEDSERREAIGQN-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide (CID 18586323) is N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is GQEDSERREAIGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-20-14-6-8-15(9-7-14)21-11-10-16(19)18-13-4-2-12(17)3-5-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 366.28 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 18586323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).