2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide

C14H19BrN2OS — CID 113259150

IUPAC2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NCCN2CCSCC2)c1
InChIInChI=1S/C14H19BrN2OS/c1-11-2-3-13(15)12(10-11)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)
InChIKeyWPTPWERRSVMQRF-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.54
Rot. Bonds4

About 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide

2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide (PubChem CID 113259150) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide
PubChem CID113259150
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NCCN2CCSCC2)c1
InChIInChI=1S/C14H19BrN2OS/c1-11-2-3-13(15)12(10-11)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)
InChIKeyWPTPWERRSVMQRF-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
5-bromo-2-iodo-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106325742
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
CID 80980104
2,3-dihydroxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 107325487
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide (CID 113259150) is 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide is Cc1ccc(Br)c(C(=O)NCCN2CCSCC2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide?
The InChIKey is WPTPWERRSVMQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-11-2-3-13(15)12(10-11)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18).
What are the key properties of 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide?
2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide has a molecular weight of 343.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide is sourced from PubChem (CID 113259150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).