N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide

C17H20BrN3O2S — CID 55431922

IUPACN-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide
SMILESCC(C(=O)NC(=O)NCc1ccccc1)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C17H20BrN3O2S/c1-12(21(2)11-14-8-9-15(18)24-14)16(22)20-17(23)19-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,19,20,22,23)
InChIKeyUNZSNVQUGIUXTJ-UHFFFAOYSA-N
MW410.34 g/mol
LogP3.36
Rot. Bonds6

About N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide

N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide (PubChem CID 55431922) has the molecular formula C17H20BrN3O2S and a molecular weight of 410.34 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide
PubChem CID55431922
Molecular FormulaC17H20BrN3O2S
Molecular Weight410.34 g/mol
Exact Mass409.05
IUPAC NameN-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide
SMILESCC(C(=O)NC(=O)NCc1ccccc1)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C17H20BrN3O2S/c1-12(21(2)11-14-8-9-15(18)24-14)16(22)20-17(23)19-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,19,20,22,23)
InChIKeyUNZSNVQUGIUXTJ-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 51178868
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 27072122
N-(benzylcarbamoyl)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
CID 46646847
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 9298914
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(4-chlorophenyl)propanamide
CID 9298947
(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
CID 9494696
(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
CID 9346080
(2S)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26435325
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18093995
2-[2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 55431901

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide (CID 55431922) is N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide is CC(C(=O)NC(=O)NCc1ccccc1)N(C)Cc1ccc(Br)s1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide?
The InChIKey is UNZSNVQUGIUXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2S/c1-12(21(2)11-14-8-9-15(18)24-14)16(22)20-17(23)19-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,19,20,22,23).
What are the key properties of N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide?
N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide has a molecular weight of 410.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[(5-bromothiophen-2-yl)methyl-methylamino]propanamide is sourced from PubChem (CID 55431922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).