N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide

C18H17ClN4O5S2 — CID 2159039

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide
SMILESCC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C18H17ClN4O5S2/c1-18(2)9-27-10-23(18)30(25,26)12-5-3-11(4-6-12)15(24)20-17-22-21-16(28-17)13-7-8-14(19)29-13/h3-8H,9-10H2,1-2H3,(H,20,22,24)
InChIKeyJGWZRQJNNZDRTB-UHFFFAOYSA-N
MW468.94 g/mol
LogP3.46
Rot. Bonds5

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide (PubChem CID 2159039) has the molecular formula C18H17ClN4O5S2 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide
PubChem CID2159039
Molecular FormulaC18H17ClN4O5S2
Molecular Weight468.94 g/mol
Exact Mass468.03
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide
SMILESCC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C18H17ClN4O5S2/c1-18(2)9-27-10-23(18)30(25,26)12-5-3-11(4-6-12)15(24)20-17-22-21-16(28-17)13-7-8-14(19)29-13/h3-8H,9-10H2,1-2H3,(H,20,22,24)
InChIKeyJGWZRQJNNZDRTB-UHFFFAOYSA-N
XLogP3.46
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide (CID 2159039) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide is CC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide?
The InChIKey is JGWZRQJNNZDRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O5S2/c1-18(2)9-27-10-23(18)30(25,26)12-5-3-11(4-6-12)15(24)20-17-22-21-16(28-17)13-7-8-14(19)29-13/h3-8H,9-10H2,1-2H3,(H,20,22,24).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide has a molecular weight of 468.94 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzamide is sourced from PubChem (CID 2159039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).