N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide

C20H23NO5S — CID 110315083

IUPACN-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)C(CNC(=O)C2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO5S/c1-25-16-9-11-17(12-10-16)27(23,24)19(15-6-3-2-4-7-15)14-21-20(22)18-8-5-13-26-18/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3,(H,21,22)
InChIKeyUEMHPJDOBPAZSN-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide

N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide (PubChem CID 110315083) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide
PubChem CID110315083
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC NameN-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)C(CNC(=O)C2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO5S/c1-25-16-9-11-17(12-10-16)27(23,24)19(15-6-3-2-4-7-15)14-21-20(22)18-8-5-13-26-18/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3,(H,21,22)
InChIKeyUEMHPJDOBPAZSN-UHFFFAOYSA-N
XLogP2.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]oxolane-2-carboxamide
CID 110315105
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315082
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84564652
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 9160026
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 9185287
N-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 47472788
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 110315102
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 26792423
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one
CID 2884181
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide (CID 110315083) is N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide is COc1ccc(S(=O)(=O)C(CNC(=O)C2CCCO2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide?
The InChIKey is UEMHPJDOBPAZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-25-16-9-11-17(12-10-16)27(23,24)19(15-6-3-2-4-7-15)14-21-20(22)18-8-5-13-26-18/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide?
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110315083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).