N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide

C23H28N2O3S — CID 30972009

IUPACN-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)C2CCOCC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C23H28N2O3S/c1-16-19(23(27)25-12-6-3-7-13-25)22(24-21(26)18-10-14-28-15-11-18)29-20(16)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3,(H,24,26)
InChIKeyNVDOOQREFXSPMF-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.71
Rot. Bonds4

About N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide

N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide (PubChem CID 30972009) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide
PubChem CID30972009
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)C2CCOCC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C23H28N2O3S/c1-16-19(23(27)25-12-6-3-7-13-25)22(24-21(26)18-10-14-28-15-11-18)29-20(16)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3,(H,24,26)
InChIKeyNVDOOQREFXSPMF-UHFFFAOYSA-N
XLogP4.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-2-nitrobenzamide
CID 16960108
(3S)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 30845214
(2E,4E)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]hexa-2,4-dienamide
CID 18282194
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447838
2-(2,6-dimethylphenoxy)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 26071737
4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
CID 24617829
3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
CID 16559104
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16600525
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 24600695
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24600510
ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate
CID 16566650
2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-4-nitrobenzamide
CID 26071848

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide (CID 30972009) is N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide is Cc1c(-c2ccccc2)sc(NC(=O)C2CCOCC2)c1C(=O)N1CCCCC1.
What is the InChIKey of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide?
The InChIKey is NVDOOQREFXSPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-16-19(23(27)25-12-6-3-7-13-25)22(24-21(26)18-10-14-28-15-11-18)29-20(16)17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3,(H,24,26).
What are the key properties of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide?
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 30972009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).