N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide

C20H23NO4S — CID 119104185

IUPACN-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC(C)Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C20H23NO4S/c1-15(13-19-14-17-5-3-4-6-20(17)25-19)21-26(22,23)12-11-16-7-9-18(24-2)10-8-16/h3-10,14-15,21H,11-13H2,1-2H3
InChIKeyJOZDNHXGYWIZFQ-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.53
Rot. Bonds8

About N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide

N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 119104185) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID119104185
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC(C)Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C20H23NO4S/c1-15(13-19-14-17-5-3-4-6-20(17)25-19)21-26(22,23)12-11-16-7-9-18(24-2)10-8-16/h3-10,14-15,21H,11-13H2,1-2H3
InChIKeyJOZDNHXGYWIZFQ-UHFFFAOYSA-N
XLogP3.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124760702
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 124760523
N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 99873213
N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 119104181
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 124891791
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide
CID 124725331
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119104171
N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 121021353

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide (CID 119104185) is N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NC(C)Cc2cc3ccccc3o2)cc1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is JOZDNHXGYWIZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-15(13-19-14-17-5-3-4-6-20(17)25-19)21-26(22,23)12-11-16-7-9-18(24-2)10-8-16/h3-10,14-15,21H,11-13H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide?
N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 373.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 119104185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).