N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide

C23H20N4O4S2 — CID 2062431

IUPACN-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3cccc4ccccc34)cc2)no1
InChIInChI=1S/C23H20N4O4S2/c1-15-13-21(26-31-15)27-33(29,30)19-11-9-18(10-12-19)24-23(32)25-22(28)14-17-7-4-6-16-5-2-3-8-20(16)17/h2-13H,14H2,1H3,(H,26,27)(H2,24,25,28,32)
InChIKeyNGHJXBYUEDGQLV-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.99
Rot. Bonds6

About N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide

N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide (PubChem CID 2062431) has the molecular formula C23H20N4O4S2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
PubChem CID2062431
Molecular FormulaC23H20N4O4S2
Molecular Weight480.57 g/mol
Exact Mass480.09
IUPAC NameN-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3cccc4ccccc34)cc2)no1
InChIInChI=1S/C23H20N4O4S2/c1-15-13-21(26-31-15)27-33(29,30)19-11-9-18(10-12-19)24-23(32)25-22(28)14-17-7-4-6-16-5-2-3-8-20(16)17/h2-13H,14H2,1H3,(H,26,27)(H2,24,25,28,32)
InChIKeyNGHJXBYUEDGQLV-UHFFFAOYSA-N
XLogP3.99
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4950384
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-naphthalen-2-ylacetamide
CID 53255376
N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 2730721
3-chloro-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4940444
1-ethyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 2730614
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
1-(2-methoxyphenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 25046157
2-(4-bromo-3-methylphenoxy)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 3383244
N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142676
3-(furan-2-yl)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 3097481
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
CID 4778586
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17188042

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide (CID 2062431) is N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3cccc4ccccc34)cc2)no1.
What is the InChIKey of N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide?
The InChIKey is NGHJXBYUEDGQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S2/c1-15-13-21(26-31-15)27-33(29,30)19-11-9-18(10-12-19)24-23(32)25-22(28)14-17-7-4-6-16-5-2-3-8-20(16)17/h2-13H,14H2,1H3,(H,26,27)(H2,24,25,28,32).
What are the key properties of N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide?
N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide has a molecular weight of 480.57 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 2062431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).