5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide

C21H24N2O3S2 — CID 50810583

IUPAC5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCN(c1ccc2sc(C(=O)NC(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S2/c1-5-23(28(25,26)18-9-6-15(4)7-10-18)17-8-11-19-16(12-17)13-20(27-19)21(24)22-14(2)3/h6-14H,5H2,1-4H3,(H,22,24)
InChIKeyZVBKBJLDBZAVEJ-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.56
Rot. Bonds6

About 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide

5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 50810583) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID50810583
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC Name5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCN(c1ccc2sc(C(=O)NC(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S2/c1-5-23(28(25,26)18-9-6-15(4)7-10-18)17-8-11-19-16(12-17)13-20(27-19)21(24)22-14(2)3/h6-14H,5H2,1-4H3,(H,22,24)
InChIKeyZVBKBJLDBZAVEJ-UHFFFAOYSA-N
XLogP4.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-5-[ethyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 100768168
5-[ethyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 100767829
N-(3-chloro-4-methoxyphenyl)-5-[ethyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 100767947
N-(3-cyanophenyl)-5-[ethyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 100767549
5-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(2S)-4-phenylbutan-2-yl]-1-benzothiophene-2-carboxamide
CID 124537230
5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 50810353
N-[4-(1-cyanocyclopropyl)phenyl]-5-[ethyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 100767628
5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 17246944
N-ethyl-4-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]benzenesulfonamide
CID 100768024
5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 17246939
5-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 94085229
4-[ethyl-(3-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109058243

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 50810583) is 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide is CCN(c1ccc2sc(C(=O)NC(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is ZVBKBJLDBZAVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c1-5-23(28(25,26)18-9-6-15(4)7-10-18)17-8-11-19-16(12-17)13-20(27-19)21(24)22-14(2)3/h6-14H,5H2,1-4H3,(H,22,24).
What are the key properties of 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50810583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).