5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide

C23H26N2O5S2 — CID 94085229

IUPAC5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESCCN(c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H26N2O5S2/c1-3-25(32(27,28)20-9-7-18(29-2)8-10-20)17-6-11-21-16(13-17)14-22(31-21)23(26)24-15-19-5-4-12-30-19/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyOOBISPJREDYJGZ-LJQANCHMSA-N
MW474.60 g/mol
LogP4.03
Rot. Bonds8

About 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide

5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 94085229) has the molecular formula C23H26N2O5S2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID94085229
Molecular FormulaC23H26N2O5S2
Molecular Weight474.60 g/mol
Exact Mass474.13
IUPAC Name5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide
SMILESCCN(c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H26N2O5S2/c1-3-25(32(27,28)20-9-7-18(29-2)8-10-20)17-6-11-21-16(13-17)14-22(31-21)23(26)24-15-19-5-4-12-30-19/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyOOBISPJREDYJGZ-LJQANCHMSA-N
XLogP4.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-bromophenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 124537229
N-[2-(cyclohexen-1-yl)ethyl]-5-[ethyl-(4-methoxyphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 100768491
5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 17246944
5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 50810583
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3121372
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144112
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2898535
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2928616
4-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125052199
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143041

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide (CID 94085229) is 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide is CCN(c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OOBISPJREDYJGZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N2O5S2/c1-3-25(32(27,28)20-9-7-18(29-2)8-10-20)17-6-11-21-16(13-17)14-22(31-21)23(26)24-15-19-5-4-12-30-19/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide?
5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 474.60 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 94085229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).