N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide

C22H26N2O3S — CID 134041333

IUPACN-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(N2CCCCC2=O)cc1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C22H26N2O3S/c25-21-7-1-2-12-24(21)18-10-8-17(9-11-18)22(26)23(15-19-5-3-13-27-19)16-20-6-4-14-28-20/h4,6,8-11,14,19H,1-3,5,7,12-13,15-16H2
InChIKeyNYWJHWZKFYCJGX-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.09
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide

N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 134041333) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID134041333
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(N2CCCCC2=O)cc1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C22H26N2O3S/c25-21-7-1-2-12-24(21)18-10-8-17(9-11-18)22(26)23(15-19-5-3-13-27-19)16-20-6-4-14-28-20/h4,6,8-11,14,19H,1-3,5,7,12-13,15-16H2
InChIKeyNYWJHWZKFYCJGX-UHFFFAOYSA-N
XLogP4.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 134051172
4-(1,3-dithian-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78810036
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 55389257
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124571438
4-(difluoromethylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55520684
3-(azepan-1-ylsulfonyl)-4-chloro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 134015179
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 45181255
3-iodo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389165

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 134041333) is N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccc(N2CCCCC2=O)cc1)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is NYWJHWZKFYCJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-21-7-1-2-12-24(21)18-10-8-17(9-11-18)22(26)23(15-19-5-3-13-27-19)16-20-6-4-14-28-20/h4,6,8-11,14,19H,1-3,5,7,12-13,15-16H2.
What are the key properties of N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 398.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 134041333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).