N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide

C17H17NO2S — CID 2973789

IUPACN-(2-phenylsulfanylphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C1CCCO1
InChIInChI=1S/C17H17NO2S/c19-17(15-10-6-12-20-15)18-14-9-4-5-11-16(14)21-13-7-2-1-3-8-13/h1-5,7-9,11,15H,6,10,12H2,(H,18,19)
InChIKeyWOXGUKOTQJRXDG-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.96
Rot. Bonds4

About N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide

N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide (PubChem CID 2973789) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)oxolane-2-carboxamide
PubChem CID2973789
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC NameN-(2-phenylsulfanylphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C1CCCO1
InChIInChI=1S/C17H17NO2S/c19-17(15-10-6-12-20-15)18-14-9-4-5-11-16(14)21-13-7-2-1-3-8-13/h1-5,7-9,11,15H,6,10,12H2,(H,18,19)
InChIKeyWOXGUKOTQJRXDG-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-phenyloxolane-2-carboxamide
CID 3453643
N-(2-phenylsulfanylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2956478
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
(1S,2R,3S,4S)-3-[(2-phenylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 100732356
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide (CID 2973789) is N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide is O=C(Nc1ccccc1Sc1ccccc1)C1CCCO1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide?
The InChIKey is WOXGUKOTQJRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-17(15-10-6-12-20-15)18-14-9-4-5-11-16(14)21-13-7-2-1-3-8-13/h1-5,7-9,11,15H,6,10,12H2,(H,18,19).
What are the key properties of N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide?
N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide has a molecular weight of 299.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2973789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).