(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C19H22N2O4S2 — CID 25481154

IUPAC(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22N2O4S2/c1-4-25-15-10-9-14(12-18(15)27(23,24)21(2)3)20-19(22)17-11-13-7-5-6-8-16(13)26-17/h5-10,12,17H,4,11H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeySFJYVAZRVXKRJA-QGZVFWFLSA-N
MW406.53 g/mol
LogP2.99
Rot. Bonds6

About (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 25481154) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID25481154
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22N2O4S2/c1-4-25-15-10-9-14(12-18(15)27(23,24)21(2)3)20-19(22)17-11-13-7-5-6-8-16(13)26-17/h5-10,12,17H,4,11H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeySFJYVAZRVXKRJA-QGZVFWFLSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26002873
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclohex-3-ene-1-carboxamide
CID 51212890
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18140584
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
(5R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9470190
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
(2S,5R)-5-(aminomethyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]oxolane-2-carboxamide
CID 120784662
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 25481154) is (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is SFJYVAZRVXKRJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-4-25-15-10-9-14(12-18(15)27(23,24)21(2)3)20-19(22)17-11-13-7-5-6-8-16(13)26-17/h5-10,12,17H,4,11H2,1-3H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25481154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).