N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide

C19H20N2O3S2 — CID 50810624

IUPACN-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c1
InChIInChI=1S/C19H20N2O3S2/c1-12-7-13(2)9-15(8-12)20-19(22)18-11-14-10-16(5-6-17(14)25-18)21(3)26(4,23)24/h5-11H,1-4H3,(H,20,22)
InChIKeyPJPNROPZZWCSLM-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.17
Rot. Bonds4

About N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide

N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide (PubChem CID 50810624) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
PubChem CID50810624
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c1
InChIInChI=1S/C19H20N2O3S2/c1-12-7-13(2)9-15(8-12)20-19(22)18-11-14-10-16(5-6-17(14)25-18)21(3)26(4,23)24/h5-11H,1-4H3,(H,20,22)
InChIKeyPJPNROPZZWCSLM-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzenesulfonyl(methyl)amino]-N-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 50810511
N-(2,4-difluorophenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 50810288
N-(3-methylbutyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 50810473
N-(4-methylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide
CID 17246611
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 17246880
N-(4-bromophenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide
CID 17246628
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 17246828
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 17246838
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 17246816
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide
CID 100767128
N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-N-methylmethanesulfonamide
CID 50810442
5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 92670546

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide (CID 50810624) is N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide?
The InChIKey is PJPNROPZZWCSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-12-7-13(2)9-15(8-12)20-19(22)18-11-14-10-16(5-6-17(14)25-18)21(3)26(4,23)24/h5-11H,1-4H3,(H,20,22).
What are the key properties of N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide?
N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-[methyl(methylsulfonyl)amino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50810624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).