(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H16N2O4S — CID 30784955

IUPAC(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H16N2O4S/c1-23(20,21)18-13-8-6-12(7-9-13)17-16(19)15-10-11-4-2-3-5-14(11)22-15/h2-9,15,18H,10H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyCGWXLPYURMGHGX-OAHLLOKOSA-N
MW332.38 g/mol
LogP2.00
Rot. Bonds4

About (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 30784955) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID30784955
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H16N2O4S/c1-23(20,21)18-13-8-6-12(7-9-13)17-16(19)15-10-11-4-2-3-5-14(11)22-15/h2-9,15,18H,10H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyCGWXLPYURMGHGX-OAHLLOKOSA-N
XLogP2.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
(2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006346
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25337403
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 30784955) is (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1.
What is the InChIKey of (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is CGWXLPYURMGHGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-23(20,21)18-13-8-6-12(7-9-13)17-16(19)15-10-11-4-2-3-5-14(11)22-15/h2-9,15,18H,10H2,1H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 30784955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).