N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C18H21BrN2OS — CID 2699491

IUPACN-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H21BrN2OS/c1-13-4-9-17(16(19)10-13)20-18(22)12-21(2)11-14-5-7-15(23-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyNKDCBKKWDZRZQK-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.55
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 2699491) has the molecular formula C18H21BrN2OS and a molecular weight of 393.35 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID2699491
Molecular FormulaC18H21BrN2OS
Molecular Weight393.35 g/mol
Exact Mass392.06
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H21BrN2OS/c1-13-4-9-17(16(19)10-13)20-18(22)12-21(2)11-14-5-7-15(23-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyNKDCBKKWDZRZQK-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
N-(2,6-dibromo-4-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 2121356
N-(2-bromo-4-methylphenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 2125655
N-(3-bromophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2699473
N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2699969
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 18111165
2-(4-Benzyl-piperazin-1-yl)-N-(2-bromo-4-methyl-phenyl)-acetamide
CID 24746809
N-(2-Bromo-4-methyl-phenyl)-2-[(thiophen-2-ylmethyl)-amino]-acetamide
CID 24746989
Tos-DL-Met-Sar-NHPh(2-Br)
CID 25161963
2-(diethylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 975178
N-(2-bromophenyl)-3-[(4-methylphenyl)sulfanyl]propanamide
CID 988415
2-(1-azepanyl)-N-(2-bromo-4-methylphenyl)acetamide
CID 1300052

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 2699491) is N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is CSc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is NKDCBKKWDZRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2OS/c1-13-4-9-17(16(19)10-13)20-18(22)12-21(2)11-14-5-7-15(23-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 393.35 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 2699491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).