N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

C23H28N2O4S2 — CID 40972540

IUPACN-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2CSC)cc1
InChIInChI=1S/C23H28N2O4S2/c1-5-25(6-2)31(27,28)18-13-11-17(12-14-18)16(3)24-23(26)22-20(15-30-4)19-9-7-8-10-21(19)29-22/h7-14,16H,5-6,15H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyQSEGXVGZTLVBGD-MRXNPFEDSA-N
MW460.62 g/mol
LogP4.82
Rot. Bonds9

About N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 40972540) has the molecular formula C23H28N2O4S2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
PubChem CID40972540
Molecular FormulaC23H28N2O4S2
Molecular Weight460.62 g/mol
Exact Mass460.15
IUPAC NameN-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2CSC)cc1
InChIInChI=1S/C23H28N2O4S2/c1-5-25(6-2)31(27,28)18-13-11-17(12-14-18)16(3)24-23(26)22-20(15-30-4)19-9-7-8-10-21(19)29-22/h7-14,16H,5-6,15H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyQSEGXVGZTLVBGD-MRXNPFEDSA-N
XLogP4.82
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-oxochromene-3-carboxamide
CID 42893558
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51247168
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 39960543
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 32752664
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532925
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (CID 40972540) is N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2CSC)cc1.
What is the InChIKey of N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is QSEGXVGZTLVBGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N2O4S2/c1-5-25(6-2)31(27,28)18-13-11-17(12-14-18)16(3)24-23(26)22-20(15-30-4)19-9-7-8-10-21(19)29-22/h7-14,16H,5-6,15H2,1-4H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40972540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).