3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide

C18H22BrN3O2S — CID 56516070

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H22BrN3O2S/c1-21(13-15-8-9-16(19)25-15)17(23)10-11-20-18(24)22(2)12-14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3,(H,20,24)
InChIKeyJCUIEOFLMWOWPE-UHFFFAOYSA-N
MW424.36 g/mol
LogP3.70
Rot. Bonds7

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide (PubChem CID 56516070) has the molecular formula C18H22BrN3O2S and a molecular weight of 424.36 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
PubChem CID56516070
Molecular FormulaC18H22BrN3O2S
Molecular Weight424.36 g/mol
Exact Mass423.06
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H22BrN3O2S/c1-21(13-15-8-9-16(19)25-15)17(23)10-11-20-18(24)22(2)12-14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3,(H,20,24)
InChIKeyJCUIEOFLMWOWPE-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide 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

3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
5-[[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110662
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
N-benzyl-N-methyl-3-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]propanamide
CID 111134571
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
3-(2-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide;hydrochloride
CID 120608213
2-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl-propylamino]acetic acid
CID 119205547
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
CID 96998499
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 9108735
1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874551
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide (CID 56516070) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide is CN(Cc1ccc(Br)s1)C(=O)CCNC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide?
The InChIKey is JCUIEOFLMWOWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2S/c1-21(13-15-8-9-16(19)25-15)17(23)10-11-20-18(24)22(2)12-14-6-4-3-5-7-14/h3-9H,10-13H2,1-2H3,(H,20,24).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide has a molecular weight of 424.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 56516070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).