N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide

C23H23NO2S — CID 7243574

IUPACN-benzhydryl-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C23H23NO2S/c25-22(23(13-15-26-16-14-23)20-12-7-17-27-20)24-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H,24,25)
InChIKeyXBLXRAQITOTYJZ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.70
Rot. Bonds5

About N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide

N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243574) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243574
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-benzhydryl-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C23H23NO2S/c25-22(23(13-15-26-16-14-23)20-12-7-17-27-20)24-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H,24,25)
InChIKeyXBLXRAQITOTYJZ-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
N-(2-fluorophenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243546
N-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243534
N-benzhydryl-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502552
N-(2-morpholin-4-ium-4-ylethyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243535
N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide
CID 12005993
N-[(4-phenylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90523284
N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782253
N-[(3R)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97038575
N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243583
N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
CID 7217402
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide (CID 7243574) is N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is XBLXRAQITOTYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c25-22(23(13-15-26-16-14-23)20-12-7-17-27-20)24-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2,(H,24,25).
What are the key properties of N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide?
N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).