2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid

C14H20N2O3S — CID 107424030

IUPAC2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid
SMILESCSc1ccccc1C(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C14H20N2O3S/c1-15(2)8-9-16(10-13(17)18)14(19)11-6-4-5-7-12(11)20-3/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeyNPFAVZCLHUIGMD-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.50
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid (PubChem CID 107424030) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid
PubChem CID107424030
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid
SMILESCSc1ccccc1C(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C14H20N2O3S/c1-15(2)8-9-16(10-13(17)18)14(19)11-6-4-5-7-12(11)20-3/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeyNPFAVZCLHUIGMD-UHFFFAOYSA-N
XLogP1.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid 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-[2-(dimethylamino)ethyl-(2-methyl-5-methylsulfanylbenzoyl)amino]acetic acid
CID 103802836
2-[(2-bromo-3-methylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107981567
2-[(2-chloro-5-methylsulfanylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802576
2-[(3-bromo-2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423704
2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802927
2-[2-(dimethylamino)ethyl-(4-fluoro-2-iodobenzoyl)amino]acetic acid
CID 103802814
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid
CID 107423505
3-[(2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325321
N-(2-bromoethyl)-N-butyl-2-methylsulfanylbenzamide
CID 80659580
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylsulfanylbenzamide
CID 107490901
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid (CID 107424030) is 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid is CSc1ccccc1C(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid?
The InChIKey is NPFAVZCLHUIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15(2)8-9-16(10-13(17)18)14(19)11-6-4-5-7-12(11)20-3/h4-7H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid has a molecular weight of 296.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid is sourced from PubChem (CID 107424030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).