N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide

C15H15BrN2O2S — CID 55801945

IUPACN-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCc1cc(Br)cs1)C(=O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2S/c1-18(15(20)11-5-3-2-4-6-11)9-14(19)17-8-13-7-12(16)10-21-13/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyDJQSBVPJZFZJON-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.90
Rot. Bonds5

About N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide

N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 55801945) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide
PubChem CID55801945
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCc1cc(Br)cs1)C(=O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2S/c1-18(15(20)11-5-3-2-4-6-11)9-14(19)17-8-13-7-12(16)10-21-13/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyDJQSBVPJZFZJON-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
4-[(4-bromothiophen-2-yl)methylamino]-4-oxo-2-phenylbutanoic acid
CID 51121124
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
N-[(4-bromothiophen-2-yl)methyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111334200
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
4-[(4-bromothiophen-2-yl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498514
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide
CID 86923192

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide (CID 55801945) is N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NCc1cc(Br)cs1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is DJQSBVPJZFZJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-18(15(20)11-5-3-2-4-6-11)9-14(19)17-8-13-7-12(16)10-21-13/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 367.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 55801945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).