N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide

C17H16Cl2N4OS2 — CID 2958281

IUPACN-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C
InChIInChI=1S/C17H16Cl2N4OS2/c1-10(20-16(24)14-4-3-7-25-14)15-21-22-17(23(15)2)26-9-11-5-6-12(18)8-13(11)19/h3-8,10H,9H2,1-2H3,(H,20,24)
InChIKeyFANZPRFWQZKWQE-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.97
Rot. Bonds6

About N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide

N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide (PubChem CID 2958281) has the molecular formula C17H16Cl2N4OS2 and a molecular weight of 427.38 g/mol. Its IUPAC name is N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
PubChem CID2958281
Molecular FormulaC17H16Cl2N4OS2
Molecular Weight427.38 g/mol
Exact Mass426.01
IUPAC NameN-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C
InChIInChI=1S/C17H16Cl2N4OS2/c1-10(20-16(24)14-4-3-7-25-14)15-21-22-17(23(15)2)26-9-11-5-6-12(18)8-13(11)19/h3-8,10H,9H2,1-2H3,(H,20,24)
InChIKeyFANZPRFWQZKWQE-UHFFFAOYSA-N
XLogP4.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide 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

N-{[5-({2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}thio)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-2-thiophenecarboxamide
CID 2214229
N-{2-[4-allyl-5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]ethyl}-2-thiophenecarboxamide
CID 2212582
N-[2-(4-allyl-5-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-4H-1,2,4-triazol-3-yl)ethyl]-2-thiophenecarboxamide
CID 2233849
N-(1-{5-[(3,4-dichlorobenzyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}-3-methylbutyl)-2-thiophenecarboxamide
CID 2958279
N-({4-allyl-5-[(2,4-dichlorobenzyl)thio]-4H-1,2,4-triazol-3-yl}methyl)-2-thiophenecarboxamide
CID 2958781
4-chloro-N-[1-(5-{[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 6497700
4-chloro-N-[(5-{[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
CID 6497736
Ethyl 2-[[4-benzyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 2159393
4-chloro-N-[1-(5-{[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 6497696
4-chloro-N-[(5-{[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
CID 6497731
N-[2-(4-chlorophenyl)ethyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2091546
N-{[4-ethyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}thio)-4H-1,2,4-triazol-3-yl]methyl}-2-thiophenecarboxamide
CID 2213806

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide (CID 2958281) is N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C.
What is the InChIKey of N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is FANZPRFWQZKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4OS2/c1-10(20-16(24)14-4-3-7-25-14)15-21-22-17(23(15)2)26-9-11-5-6-12(18)8-13(11)19/h3-8,10H,9H2,1-2H3,(H,20,24).
What are the key properties of N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide?
N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 427.38 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2958281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).