N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide

C20H20N4O2S2 — CID 8531365

IUPACN-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)s1
InChIInChI=1S/C20H20N4O2S2/c1-13(25)21-11-16-9-10-18(28-16)17(26)12-27-20-22-19(14-7-8-14)24(23-20)15-5-3-2-4-6-15/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,25)
InChIKeySHZWJFUUJHSVSU-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.82
Rot. Bonds8

About N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 8531365) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide
PubChem CID8531365
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC NameN-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)s1
InChIInChI=1S/C20H20N4O2S2/c1-13(25)21-11-16-9-10-18(28-16)17(26)12-27-20-22-19(14-7-8-14)24(23-20)15-5-3-2-4-6-15/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,25)
InChIKeySHZWJFUUJHSVSU-UHFFFAOYSA-N
XLogP3.82
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[2-(5-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-thiophenecarboxamide
CID 986436
2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(2-thienylmethyl)acetamide
CID 832346
ethyl 2-((4-phenyl-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate
CID 2159395
N-{2-[4-allyl-5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]ethyl}-2-thiophenecarboxamide
CID 2231671
N-{2-[5-({2-[(3-acetylphenyl)amino]-2-oxoethyl}thio)-4-allyl-4H-1,2,4-triazol-3-yl]ethyl}-2-thiophenecarboxamide
CID 2977207
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-thiophenecarboxamide
CID 986499
4-[[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 7272910
N-cyclohexyl-2-{[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 1007761
N-[2-(4-methyl-5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-4H-1,2,4-triazol-3-yl)ethyl]-2-thiophenecarboxamide
CID 2960374
N-((5-((2-(hydroxyamino)-2-oxoethyl)thio)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide
CID 16194802
4-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 16293309
Methyl 2-[[4-(3-methylphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 2159396

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide (CID 8531365) is N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)s1.
What is the InChIKey of N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is SHZWJFUUJHSVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-13(25)21-11-16-9-10-18(28-16)17(26)12-27-20-22-19(14-7-8-14)24(23-20)15-5-3-2-4-6-15/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,25).
What are the key properties of N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 412.54 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8531365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).