N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C15H19N3O4S2 — CID 42940422

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)no1
InChIInChI=1S/C15H19N3O4S2/c1-10-8-13(17-22-10)16-15(19)12-4-3-7-18(9-12)24(20,21)14-6-5-11(2)23-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,17,19)
InChIKeyKPWTXYYRQZHJHE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.39
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 42940422) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID42940422
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)no1
InChIInChI=1S/C15H19N3O4S2/c1-10-8-13(17-22-10)16-15(19)12-4-3-7-18(9-12)24(20,21)14-6-5-11(2)23-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,17,19)
InChIKeyKPWTXYYRQZHJHE-UHFFFAOYSA-N
XLogP2.39
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pentanedioic acid (5-methyl-isoxazol-3-yl)-amide (thiophen-2-ylmethyl)-amide
CID 652358
N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2330578
N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
CID 53498579
1-(5-Methyl-1,2-oxazol-3-yl)-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea
CID 32059804
N4-(5-methylisoxazol-3-yl)-N1-(thiophen-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 49677036
2-(2,6-dioxo-4-(thiophen-2-yl)piperidin-1-yl)-N-(5-methylisoxazol-3-yl)acetamide
CID 71801959
4-[(ethylamino)sulfonyl]-N-(5-methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 6504157
N-(5-methyl-3-isoxazolyl)-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-thiophenecarboxamide
CID 27260606
2-methyl-N-(5-methyl-3-isoxazolyl)-5-(2-thienyl)-1,2,6-thiadiazinane-3-carboxamide 1,1-dioxide
CID 56738094
(3R)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 40013619
(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 40013621
1-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 45855111

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 42940422) is N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KPWTXYYRQZHJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-10-8-13(17-22-10)16-15(19)12-4-3-7-18(9-12)24(20,21)14-6-5-11(2)23-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.39, 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-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 42940422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).