N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide

C13H14ClN5O2S — CID 51087022

IUPACN-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1nncs1
InChIInChI=1S/C13H14ClN5O2S/c1-19(7-12(21)17-13-18-15-8-22-13)6-11(20)16-10-4-2-3-9(14)5-10/h2-5,8H,6-7H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyLWCVXRMUPFFJGF-UHFFFAOYSA-N
MW339.81 g/mol
LogP1.70
Rot. Bonds6

About N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide

N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide (PubChem CID 51087022) has the molecular formula C13H14ClN5O2S and a molecular weight of 339.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide
PubChem CID51087022
Molecular FormulaC13H14ClN5O2S
Molecular Weight339.81 g/mol
Exact Mass339.06
IUPAC NameN-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1nncs1
InChIInChI=1S/C13H14ClN5O2S/c1-19(7-12(21)17-13-18-15-8-22-13)6-11(20)16-10-4-2-3-9(14)5-10/h2-5,8H,6-7H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyLWCVXRMUPFFJGF-UHFFFAOYSA-N
XLogP1.70
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.81
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide 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-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 1407434
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 37128973
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 60570053
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 86794347
N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 55853646
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide (CID 51087022) is N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide is CN(CC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1nncs1.
What is the InChIKey of N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide?
The InChIKey is LWCVXRMUPFFJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2S/c1-19(7-12(21)17-13-18-15-8-22-13)6-11(20)16-10-4-2-3-9(14)5-10/h2-5,8H,6-7H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide?
N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide has a molecular weight of 339.81 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 51087022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).