N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

C20H19NO5S — CID 110315127

IUPACN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19NO5S/c1-25-17-11-6-5-10-16(17)20(22)21-14-19(18-12-7-13-26-18)27(23,24)15-8-3-2-4-9-15/h2-13,19H,14H2,1H3,(H,21,22)
InChIKeyZLDMQCZYLFXHFK-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 110315127) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
PubChem CID110315127
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC NameN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19NO5S/c1-25-17-11-6-5-10-16(17)20(22)21-14-19(18-12-7-13-26-18)27(23,24)15-8-3-2-4-9-15/h2-13,19H,14H2,1H3,(H,21,22)
InChIKeyZLDMQCZYLFXHFK-UHFFFAOYSA-N
XLogP3.23
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
CID 22584447
N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 22584481
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 27506094
2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide
CID 20962895
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
CID 121145514
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 27451022
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775081
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 110315139
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (CID 110315127) is N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is ZLDMQCZYLFXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-25-17-11-6-5-10-16(17)20(22)21-14-19(18-12-7-13-26-18)27(23,24)15-8-3-2-4-9-15/h2-13,19H,14H2,1H3,(H,21,22).
What are the key properties of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 385.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 110315127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).