4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine

C19H20N2O3S2 — CID 5267201

IUPAC4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NC1CCCCC1
InChIInChI=1S/C19H20N2O3S2/c22-26(23,15-10-5-2-6-11-15)19-18(20-14-8-3-1-4-9-14)24-17(21-19)16-12-7-13-25-16/h2,5-7,10-14,20H,1,3-4,8-9H2
InChIKeyNDGYZABBXWUKMO-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.98
Rot. Bonds5

About 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine (PubChem CID 5267201) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine
PubChem CID5267201
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NC1CCCCC1
InChIInChI=1S/C19H20N2O3S2/c22-26(23,15-10-5-2-6-11-15)19-18(20-14-8-3-1-4-9-14)24-17(21-19)16-12-7-13-25-16/h2,5-7,10-14,20H,1,3-4,8-9H2
InChIKeyNDGYZABBXWUKMO-UHFFFAOYSA-N
XLogP4.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine (CID 5267201) is 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NC1CCCCC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
The InChIKey is NDGYZABBXWUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c22-26(23,15-10-5-2-6-11-15)19-18(20-14-8-3-1-4-9-14)24-17(21-19)16-12-7-13-25-16/h2,5-7,10-14,20H,1,3-4,8-9H2.
What are the key properties of 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine has a molecular weight of 388.51 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-cyclohexyl-2-thiophen-2-yl-1,3-oxazol-5-amine is sourced from PubChem (CID 5267201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).