4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine

C19H20ClN3O4S2 — CID 5267411

IUPAC4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1NCCN1CCOCC1
InChIInChI=1S/C19H20ClN3O4S2/c20-14-3-5-15(6-4-14)29(24,25)19-18(21-7-8-23-9-11-26-12-10-23)27-17(22-19)16-2-1-13-28-16/h1-6,13,21H,7-12H2
InChIKeyPDROLJWCHICGEH-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.63
Rot. Bonds7

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

4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (PubChem CID 5267411) has the molecular formula C19H20ClN3O4S2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
PubChem CID5267411
Molecular FormulaC19H20ClN3O4S2
Molecular Weight453.97 g/mol
Exact Mass453.06
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1NCCN1CCOCC1
InChIInChI=1S/C19H20ClN3O4S2/c20-14-3-5-15(6-4-14)29(24,25)19-18(21-7-8-23-9-11-26-12-10-23)27-17(22-19)16-2-1-13-28-16/h1-6,13,21H,7-12H2
InChIKeyPDROLJWCHICGEH-UHFFFAOYSA-N
XLogP3.63
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine (CID 5267411) is 4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1NCCN1CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
The InChIKey is PDROLJWCHICGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S2/c20-14-3-5-15(6-4-14)29(24,25)19-18(21-7-8-23-9-11-26-12-10-23)27-17(22-19)16-2-1-13-28-16/h1-6,13,21H,7-12H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine has a molecular weight of 453.97 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 5267411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).