[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

C19H20ClN2O2S+ — CID 8678016

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
SMILESCc1cc(Cl)ccc1NC(=O)C[NH+](Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H19ClN2O2S/c1-14-10-15(20)6-7-18(14)21-19(23)13-22(11-16-4-2-8-24-16)12-17-5-3-9-25-17/h2-10H,11-13H2,1H3,(H,21,23)/p+1
InChIKeyPEPUNLQECSIDFM-UHFFFAOYSA-O
MW375.90 g/mol
LogP3.53
Rot. Bonds7

About [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium (PubChem CID 8678016) has the molecular formula C19H20ClN2O2S+ and a molecular weight of 375.90 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
PubChem CID8678016
Molecular FormulaC19H20ClN2O2S+
Molecular Weight375.90 g/mol
Exact Mass375.09
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
SMILESCc1cc(Cl)ccc1NC(=O)C[NH+](Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H19ClN2O2S/c1-14-10-15(20)6-7-18(14)21-19(23)13-22(11-16-4-2-8-24-16)12-17-5-3-9-25-17/h2-10H,11-13H2,1H3,(H,21,23)/p+1
InChIKeyPEPUNLQECSIDFM-UHFFFAOYSA-O
XLogP3.53
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium 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-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800767
furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8677699
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677873
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565
[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677797
furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678477
N-(4-chloro-2-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
CID 108996274
bis(furan-2-ylmethyl)-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]azanium
CID 8840703
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333255
N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8569586
[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841313
N-(4-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055323

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium (CID 8678016) is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium is Cc1cc(Cl)ccc1NC(=O)C[NH+](Cc1ccco1)Cc1cccs1.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The InChIKey is PEPUNLQECSIDFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClN2O2S/c1-14-10-15(20)6-7-18(14)21-19(23)13-22(11-16-4-2-8-24-16)12-17-5-3-9-25-17/h2-10H,11-13H2,1H3,(H,21,23)/p+1.
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium has a molecular weight of 375.90 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8678016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).