N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide

C26H26N2O5S2 — CID 92670528

IUPACN-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cc(C)ccc4OC)cc3c2)cc1C
InChIInChI=1S/C26H26N2O5S2/c1-16-6-9-23(33-5)21(12-16)27-26(29)25-15-18-14-19(7-11-24(18)34-25)28(3)35(30,31)20-8-10-22(32-4)17(2)13-20/h6-15H,1-5H3,(H,27,29)
InChIKeyMMPAOOPPPZODDN-UHFFFAOYSA-N
MW510.64 g/mol
LogP5.61
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide

N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide (PubChem CID 92670528) has the molecular formula C26H26N2O5S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide
PubChem CID92670528
Molecular FormulaC26H26N2O5S2
Molecular Weight510.64 g/mol
Exact Mass510.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cc(C)ccc4OC)cc3c2)cc1C
InChIInChI=1S/C26H26N2O5S2/c1-16-6-9-23(33-5)21(12-16)27-26(29)25-15-18-14-19(7-11-24(18)34-25)28(3)35(30,31)20-8-10-22(32-4)17(2)13-20/h6-15H,1-5H3,(H,27,29)
InChIKeyMMPAOOPPPZODDN-UHFFFAOYSA-N
XLogP5.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 92670546
5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 99938629
5-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 99938718
5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-propyl-1-benzothiophene-2-carboxamide
CID 92670479
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 17246848
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 17246816
N-[(2R)-butan-2-yl]-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide
CID 92670483
5-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-(2-phenoxyphenyl)-1-benzothiophene-2-carboxamide
CID 99938848
N-(2-ethoxyphenyl)-5-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide
CID 92670658
5-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-phenoxyphenyl)-1-benzothiophene-2-carboxamide
CID 99938771
N-[2-(cyclohexen-1-yl)ethyl]-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide
CID 92670489
N-(5-chloro-2-methoxyphenyl)-5-[ethylsulfonyl(methyl)amino]-1-benzothiophene-2-carboxamide
CID 50810479

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide (CID 92670528) is N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide is COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cc(C)ccc4OC)cc3c2)cc1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide?
The InChIKey is MMPAOOPPPZODDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S2/c1-16-6-9-23(33-5)21(12-16)27-26(29)25-15-18-14-19(7-11-24(18)34-25)28(3)35(30,31)20-8-10-22(32-4)17(2)13-20/h6-15H,1-5H3,(H,27,29).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 92670528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).