N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

C23H24FNO4S — CID 27314701

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(Cc3ccccc3F)[C@@H]3CCS(=O)(=O)C3)oc2c1C
InChIInChI=1S/C23H24FNO4S/c1-14-8-9-19-16(3)22(29-21(19)15(14)2)23(26)25(18-10-11-30(27,28)13-18)12-17-6-4-5-7-20(17)24/h4-9,18H,10-13H2,1-3H3/t18-/m1/s1
InChIKeyLVVSISBIDMVDNC-GOSISDBHSA-N
MW429.51 g/mol
LogP4.33
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 27314701) has the molecular formula C23H24FNO4S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID27314701
Molecular FormulaC23H24FNO4S
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)N(Cc3ccccc3F)[C@@H]3CCS(=O)(=O)C3)oc2c1C
InChIInChI=1S/C23H24FNO4S/c1-14-8-9-19-16(3)22(29-21(19)15(14)2)23(26)25(18-10-11-30(27,28)13-18)12-17-6-4-5-7-20(17)24/h4-9,18H,10-13H2,1-3H3/t18-/m1/s1
InChIKeyLVVSISBIDMVDNC-GOSISDBHSA-N
XLogP4.33
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]benzamide
CID 40643577
N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 18879923
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35343291
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 40643590
N-[(3R)-1,1-dioxothiolan-3-yl]-3,5,7-trimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 42387579
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35526649
N-[(3S)-1,1-dioxothiolan-3-yl]-7,8-dimethyl-N-[(4-methylphenyl)methyl]-4-oxochromene-2-carboxamide
CID 26818959
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3-methoxybenzamide
CID 40643575
N-benzyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 4502955
N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(naphthalen-1-ylmethyl)benzamide
CID 40851294
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7390201
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)benzamide
CID 40643612

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide (CID 27314701) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)N(Cc3ccccc3F)[C@@H]3CCS(=O)(=O)C3)oc2c1C.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is LVVSISBIDMVDNC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24FNO4S/c1-14-8-9-19-16(3)22(29-21(19)15(14)2)23(26)25(18-10-11-30(27,28)13-18)12-17-6-4-5-7-20(17)24/h4-9,18H,10-13H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27314701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).