5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide

C15H20N2O3S2 — CID 50810353

IUPAC5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCS(=O)(=O)N(C)c1ccc2sc(C(=O)NC(C)C)cc2c1
InChIInChI=1S/C15H20N2O3S2/c1-5-22(19,20)17(4)12-6-7-13-11(8-12)9-14(21-13)15(18)16-10(2)3/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyAKSAADADERMTNA-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.83
Rot. Bonds5

About 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide

5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 50810353) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID50810353
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCS(=O)(=O)N(C)c1ccc2sc(C(=O)NC(C)C)cc2c1
InChIInChI=1S/C15H20N2O3S2/c1-5-22(19,20)17(4)12-6-7-13-11(8-12)9-14(21-13)15(18)16-10(2)3/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyAKSAADADERMTNA-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethylsulfonyl(methyl)amino]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 50810537
5-[ethyl-(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 50810583
N-(5-chloro-2-methoxyphenyl)-5-[ethylsulfonyl(methyl)amino]-1-benzothiophene-2-carboxamide
CID 50810479
N-[(2R)-butan-2-yl]-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide
CID 92670483
N-(3-methylbutyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 50810473
N-[(2S)-butan-2-yl]-5-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide
CID 92670616
5-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 50810455
5-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-phenylethyl]-1-benzothiophene-2-carboxamide
CID 124537222
5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-propyl-1-benzothiophene-2-carboxamide
CID 92670479
5-[(4-bromophenyl)sulfonyl-methylamino]-N-butyl-1-benzothiophene-2-carboxamide
CID 17246793
5-[(4-chlorophenyl)sulfonyl-methylamino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11234881
N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 50810624

Frequently Asked Questions

What is the IUPAC name of 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 50810353) is 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide is CCS(=O)(=O)N(C)c1ccc2sc(C(=O)NC(C)C)cc2c1.
What is the InChIKey of 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is AKSAADADERMTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-5-22(19,20)17(4)12-6-7-13-11(8-12)9-14(21-13)15(18)16-10(2)3/h6-10H,5H2,1-4H3,(H,16,18).
What are the key properties of 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethylsulfonyl(methyl)amino]-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50810353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).