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

C20H17N3O3S2 — CID 1244719

IUPAC4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCc2cccnc2)cc1
InChIInChI=1S/C20H17N3O3S2/c1-14-6-8-16(9-7-14)28(24,25)20-19(22-13-15-4-2-10-21-12-15)26-18(23-20)17-5-3-11-27-17/h2-12,22H,13H2,1H3
InChIKeyPRGFTBVAQIWADY-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.55
Rot. Bonds6

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

4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (PubChem CID 1244719) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
PubChem CID1244719
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCc2cccnc2)cc1
InChIInChI=1S/C20H17N3O3S2/c1-14-6-8-16(9-7-14)28(24,25)20-19(22-13-15-4-2-10-21-12-15)26-18(23-20)17-5-3-11-27-17/h2-12,22H,13H2,1H3
InChIKeyPRGFTBVAQIWADY-UHFFFAOYSA-N
XLogP4.55
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267265
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267311
4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine
CID 1244681
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18824880
N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbenzenesulfonamide
CID 141000174
2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18826583
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18827053
2-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826552
4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 5267411
4-(benzenesulfonyl)-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
CID 1244710
N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18890355
2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 39531741

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (CID 1244719) is 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCc2cccnc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The InChIKey is PRGFTBVAQIWADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-14-6-8-16(9-7-14)28(24,25)20-19(22-13-15-4-2-10-21-12-15)26-18(23-20)17-5-3-11-27-17/h2-12,22H,13H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine has a molecular weight of 411.51 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 1244719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).