methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate

C19H24N2O3S — CID 46992722

IUPACmethyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N(CCN(C)C)Cc1sccc1C
InChIInChI=1S/C19H24N2O3S/c1-14-9-12-25-17(14)13-21(11-10-20(2)3)18(22)15-7-5-6-8-16(15)19(23)24-4/h5-9,12H,10-11,13H2,1-4H3
InChIKeyAELGIGDDXSOXIL-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.05
Rot. Bonds7

About methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate

methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate (PubChem CID 46992722) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate
PubChem CID46992722
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Namemethyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N(CCN(C)C)Cc1sccc1C
InChIInChI=1S/C19H24N2O3S/c1-14-9-12-25-17(14)13-21(11-10-20(2)3)18(22)15-7-5-6-8-16(15)19(23)24-4/h5-9,12H,10-11,13H2,1-4H3
InChIKeyAELGIGDDXSOXIL-UHFFFAOYSA-N
XLogP3.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate 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

2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348
2-Thiophenecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester
CID 730698
(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate
CID 895701
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 5237584
Methyl 4-[[(3-phenylthiophene-2-carbonyl)amino]methyl]benzoate
CID 24684587
methyl 4-[(E)-2-propyl-1-(thiophene-2-carbonylamino)hex-2-enyl]benzoate
CID 5771846
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3,5-dimethylpiperidine-1-carbonyl)benzoate
CID 4877943
[3-[Benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 24793283
Methyl 4-({[(5-acetyl-3-thienyl)acetyl]amino}methyl)benzoate
CID 28248978
methyl 4-[(E,1R)-2-propyl-1-(thiophene-2-carbonylamino)hex-2-enyl]benzoate
CID 44592614
[5-(Methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 45174885
Methyl 4-((thiophen-3-ylmethyl)(2,2,2-trifluoroethyl)carbamoyl)benzoate
CID 49717084

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate (CID 46992722) is methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)N(CCN(C)C)Cc1sccc1C.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate?
The InChIKey is AELGIGDDXSOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-9-12-25-17(14)13-21(11-10-20(2)3)18(22)15-7-5-6-8-16(15)19(23)24-4/h5-9,12H,10-11,13H2,1-4H3.
What are the key properties of methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate?
methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate has a molecular weight of 360.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoate is sourced from PubChem (CID 46992722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).