N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine

C21H18N2O3S2 — CID 5267311

IUPACN-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESCc1ccc(Nc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N2O3S2/c1-14-5-9-16(10-6-14)22-20-21(23-19(26-20)18-4-3-13-27-18)28(24,25)17-11-7-15(2)8-12-17/h3-13,22H,1-2H3
InChIKeyXXJMKDDPSCFTCN-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.60
Rot. Bonds5

About N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine

N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine (PubChem CID 5267311) has the molecular formula C21H18N2O3S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine
PubChem CID5267311
Molecular FormulaC21H18N2O3S2
Molecular Weight410.52 g/mol
Exact Mass410.08
IUPAC NameN-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESCc1ccc(Nc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H18N2O3S2/c1-14-5-9-16(10-6-14)22-20-21(23-19(26-20)18-4-3-13-27-18)28(24,25)17-11-7-15(2)8-12-17/h3-13,22H,1-2H3
InChIKeyXXJMKDDPSCFTCN-UHFFFAOYSA-N
XLogP5.60
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267265
4-(4-methylphenyl)sulfonyl-5-(2-methylpropylsulfonyl)-2-thiophen-2-yl-1,3-oxazole
CID 23605503
4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 1244719
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18826529
2-(2-fluorophenyl)-N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826806
4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825590
N-(4-methoxyphenyl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825611
N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825667
N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826377
4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825595
N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825657
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
The IUPAC name of N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine (CID 5267311) is N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine is Cc1ccc(Nc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
The InChIKey is XXJMKDDPSCFTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S2/c1-14-5-9-16(10-6-14)22-20-21(23-19(26-20)18-4-3-13-27-18)28(24,25)17-11-7-15(2)8-12-17/h3-13,22H,1-2H3.
What are the key properties of N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine has a molecular weight of 410.52 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 5267311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).