N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide

C22H20N4OS — CID 24677060

IUPACN-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(c1ccc(-n2cncn2)cc1)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C22H20N4OS/c27-22(19-8-10-20(11-9-19)26-17-23-16-24-26)25(15-21-7-4-14-28-21)13-12-18-5-2-1-3-6-18/h1-11,14,16-17H,12-13,15H2
InChIKeyXJHWBVUBJQWYAS-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.21
Rot. Bonds7

About N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide

N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 24677060) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID24677060
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC NameN-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(c1ccc(-n2cncn2)cc1)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C22H20N4OS/c27-22(19-8-10-20(11-9-19)26-17-23-16-24-26)25(15-21-7-4-14-28-21)13-12-18-5-2-1-3-6-18/h1-11,14,16-17H,12-13,15H2
InChIKeyXJHWBVUBJQWYAS-UHFFFAOYSA-N
XLogP4.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propylbenzamide
CID 3986046
4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
3-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 17398792
3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 25397843
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
CID 121084904
N-(furan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 31834240
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 5021949
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-prop-2-enylazanium
CID 7218416

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 24677060) is N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide is O=C(c1ccc(-n2cncn2)cc1)N(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is XJHWBVUBJQWYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c27-22(19-8-10-20(11-9-19)26-17-23-16-24-26)25(15-21-7-4-14-28-21)13-12-18-5-2-1-3-6-18/h1-11,14,16-17H,12-13,15H2.
What are the key properties of N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 388.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 24677060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).