N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C21H23N3O2S — CID 134051172

IUPACN-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cn2cccn2)cc1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C21H23N3O2S/c25-21(18-8-6-17(7-9-18)14-24-11-3-10-22-24)23(15-19-4-1-12-26-19)16-20-5-2-13-27-20/h2-3,5-11,13,19H,1,4,12,14-16H2
InChIKeyYXPWZAPXBOEBAP-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.81
Rot. Bonds7

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

N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 134051172) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID134051172
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Cn2cccn2)cc1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C21H23N3O2S/c25-21(18-8-6-17(7-9-18)14-24-11-3-10-22-24)23(15-19-4-1-12-26-19)16-20-5-2-13-27-20/h2-3,5-11,13,19H,1,4,12,14-16H2
InChIKeyYXPWZAPXBOEBAP-UHFFFAOYSA-N
XLogP3.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 134046136
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
4-(difluoromethylsulfanyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55520684
N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 134041333
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
3-iodo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389165
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 112795204
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124571438

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 134051172) is N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccc(Cn2cccn2)cc1)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is YXPWZAPXBOEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-21(18-8-6-17(7-9-18)14-24-11-3-10-22-24)23(15-19-4-1-12-26-19)16-20-5-2-13-27-20/h2-3,5-11,13,19H,1,4,12,14-16H2.
What are the key properties of N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 381.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 134051172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).