N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C19H20N6O3S — CID 1264947

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2)n1N
InChIInChI=1S/C19H20N6O3S/c1-12(26)21-14-8-9-16(28-2)15(10-14)22-17(27)11-29-19-24-23-18(25(19)20)13-6-4-3-5-7-13/h3-10H,11,20H2,1-2H3,(H,21,26)(H,22,27)
InChIKeySUUDAEZKQXGNTC-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.36
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1264947) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1264947
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2)n1N
InChIInChI=1S/C19H20N6O3S/c1-12(26)21-14-8-9-16(28-2)15(10-14)22-17(27)11-29-19-24-23-18(25(19)20)13-6-4-3-5-7-13/h3-10H,11,20H2,1-2H3,(H,21,26)(H,22,27)
InChIKeySUUDAEZKQXGNTC-UHFFFAOYSA-N
XLogP2.36
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-[4-(benzyloxy)phenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1090785
N-(5-(Acetylamino)-2-methoxyphenyl)-2-((4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
CID 1264904
Asn02563583
CID 3167869
N-(2-Methoxy-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 866190
2-(5-Ethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1083045
N-(4-Methoxy-phenyl)-2-(4-methyl-5-o-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 650012
2-[5-(4-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-phenyl-acetamide
CID 655531
N-[5-(acetylamino)-2-methoxyphenyl]-2-(4-methyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))acetamide
CID 662728
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1144272
1-(4-methoxyphenyl)-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 4385640
N-(2,6-difluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7901364
3-[3-[3-(2-Methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]propylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 142573379

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1264947) is N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2)n1N.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SUUDAEZKQXGNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-12(26)21-14-8-9-16(28-2)15(10-14)22-17(27)11-29-19-24-23-18(25(19)20)13-6-4-3-5-7-13/h3-10H,11,20H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 412.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1264947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).