1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C14H16ClN3O4S2 — CID 7614777

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1
InChIInChI=1S/C14H16ClN3O4S2/c1-9-8-12(17-22-9)16-14(19)10-4-6-18(7-5-10)24(20,21)13-3-2-11(15)23-13/h2-3,8,10H,4-7H2,1H3,(H,16,17,19)
InChIKeyYTKPPCGUTAFHRI-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.74
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 7614777) has the molecular formula C14H16ClN3O4S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID7614777
Molecular FormulaC14H16ClN3O4S2
Molecular Weight389.89 g/mol
Exact Mass389.03
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1
InChIInChI=1S/C14H16ClN3O4S2/c1-9-8-12(17-22-9)16-14(19)10-4-6-18(7-5-10)24(20,21)13-3-2-11(15)23-13/h2-3,8,10H,4-7H2,1H3,(H,16,17,19)
InChIKeyYTKPPCGUTAFHRI-UHFFFAOYSA-N
XLogP2.74
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 7614777) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)no1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is YTKPPCGUTAFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S2/c1-9-8-12(17-22-9)16-14(19)10-4-6-18(7-5-10)24(20,21)13-3-2-11(15)23-13/h2-3,8,10H,4-7H2,1H3,(H,16,17,19).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 7614777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).