N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide

C21H18N4OS — CID 55825920

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESCc1nc(-c2cccc(NC(=O)CSc3ccc4ccccc4c3)c2)n[nH]1
InChIInChI=1S/C21H18N4OS/c1-14-22-21(25-24-14)17-7-4-8-18(11-17)23-20(26)13-27-19-10-9-15-5-2-3-6-16(15)12-19/h2-12H,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyTUTWEDXGLWBMIW-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.66
Rot. Bonds5

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 55825920) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
PubChem CID55825920
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESCc1nc(-c2cccc(NC(=O)CSc3ccc4ccccc4c3)c2)n[nH]1
InChIInChI=1S/C21H18N4OS/c1-14-22-21(25-24-14)17-7-4-8-18(11-17)23-20(26)13-27-19-10-9-15-5-2-3-6-16(15)12-19/h2-12H,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyTUTWEDXGLWBMIW-UHFFFAOYSA-N
XLogP4.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
2-(4-acetamidophenyl)sulfanyl-N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]acetamide
CID 75391835
2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 49423914
3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
CID 60552910
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55539737
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
(2S)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 95646211

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide (CID 55825920) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide is Cc1nc(-c2cccc(NC(=O)CSc3ccc4ccccc4c3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is TUTWEDXGLWBMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14-22-21(25-24-14)17-7-4-8-18(11-17)23-20(26)13-27-19-10-9-15-5-2-3-6-16(15)12-19/h2-12H,13H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 374.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 55825920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).