N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C17H19BrN2OS — CID 2699473

IUPACN-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrN2OS/c1-20(11-13-6-8-16(22-2)9-7-13)12-17(21)19-15-5-3-4-14(18)10-15/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyJGQIBRHYTQIOBI-UHFFFAOYSA-N
MW379.32 g/mol
LogP4.24
Rot. Bonds6

About N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 2699473) has the molecular formula C17H19BrN2OS and a molecular weight of 379.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID2699473
Molecular FormulaC17H19BrN2OS
Molecular Weight379.32 g/mol
Exact Mass378.04
IUPAC NameN-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H19BrN2OS/c1-20(11-13-6-8-16(22-2)9-7-13)12-17(21)19-15-5-3-4-14(18)10-15/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyJGQIBRHYTQIOBI-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-(4-benzylpiperazin-1-yl)-N-(3-bromophenyl)acetamide
CID 2091118
N-benzyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 2449013
N-(3-bromophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 2449125
N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2699491
N-(3-bromo-4-methylphenyl)-2-[cyclohexyl(methyl)amino]acetamide hydrochloride
CID 16192783
2-(benzylamino)-N-(3-bromo-4-methylphenyl)acetamide;hydrochloride
CID 16195183
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 18111165
N-(4-bromophenyl)-2-[methylbenzylamino]acetamide
CID 762678
N~1~-benzyl-N~2~-[3-(methylsulfanyl)phenyl]ethanediamide
CID 2818729
Tos-DL-Met-Sar-NHPh(2-Br)
CID 25161963
N-(2-bromophenyl)-3-[(4-methylphenyl)sulfanyl]propanamide
CID 988415

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 2699473) is N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is CSc1ccc(CN(C)CC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is JGQIBRHYTQIOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2OS/c1-20(11-13-6-8-16(22-2)9-7-13)12-17(21)19-15-5-3-4-14(18)10-15/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 379.32 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 2699473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).