N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C14H17N3O4S2 — CID 2330578

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)no1
InChIInChI=1S/C14H17N3O4S2/c1-10-9-12(16-21-10)15-14(18)11-4-6-17(7-5-11)23(19,20)13-3-2-8-22-13/h2-3,8-9,11H,4-7H2,1H3,(H,15,16,18)
InChIKeyNINIRXWWVBKLTN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.08
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2330578) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2330578
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)no1
InChIInChI=1S/C14H17N3O4S2/c1-10-9-12(16-21-10)15-14(18)11-4-6-17(7-5-11)23(19,20)13-3-2-8-22-13/h2-3,8-9,11H,4-7H2,1H3,(H,15,16,18)
InChIKeyNINIRXWWVBKLTN-UHFFFAOYSA-N
XLogP2.08
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(isoxazol-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2948212
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 42940422
Cambridge id 7202822
CID 23972928
N-(5-methylisoxazol-3-yl)-2-(3-(1-(methylsulfonyl)piperidin-4-yl)-5-oxo-4-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 30864402
N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfinylacetamide
CID 75430256
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide
CID 58198523
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide
CID 58198655
2-methyl-N-(5-prop-1-en-2-yl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfonylpropanamide
CID 68392085
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide
CID 70662045
N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide
CID 3829046
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 4968285
N-(5-methyl-3-isoxazolyl)-4-(1-piperidinylsulfonyl)-2-thiophenecarboxamide
CID 6503239

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2330578) is N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is NINIRXWWVBKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-10-9-12(16-21-10)15-14(18)11-4-6-17(7-5-11)23(19,20)13-3-2-8-22-13/h2-3,8-9,11H,4-7H2,1H3,(H,15,16,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2330578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).