2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

C14H13Cl2N5O3S — CID 31265818

IUPAC2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCc1nnc(NC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H13Cl2N5O3S/c1-7-20-21-14(25-7)19-12(23)6-17-11(22)5-18-13(24)9-3-2-8(15)4-10(9)16/h2-4H,5-6H2,1H3,(H,17,22)(H,18,24)(H,19,21,23)
InChIKeyJLPAPJILOZBTQU-UHFFFAOYSA-N
MW402.26 g/mol
LogP1.64
Rot. Bonds6

About 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 31265818) has the molecular formula C14H13Cl2N5O3S and a molecular weight of 402.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID31265818
Molecular FormulaC14H13Cl2N5O3S
Molecular Weight402.26 g/mol
Exact Mass401.01
IUPAC Name2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCc1nnc(NC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H13Cl2N5O3S/c1-7-20-21-14(25-7)19-12(23)6-17-11(22)5-18-13(24)9-3-2-8(15)4-10(9)16/h2-4H,5-6H2,1H3,(H,17,22)(H,18,24)(H,19,21,23)
InChIKeyJLPAPJILOZBTQU-UHFFFAOYSA-N
XLogP1.64
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide 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

2,4-dichloro-N-[2-[[2-[(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55931977
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2604241
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 32866960
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
2,4-dichloro-N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108765876

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 31265818) is 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is Cc1nnc(NC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is JLPAPJILOZBTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O3S/c1-7-20-21-14(25-7)19-12(23)6-17-11(22)5-18-13(24)9-3-2-8(15)4-10(9)16/h2-4H,5-6H2,1H3,(H,17,22)(H,18,24)(H,19,21,23).
What are the key properties of 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 402.26 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 31265818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).