N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C19H20N2O2S — CID 51310482

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C19H20N2O2S/c1-13-7-9-15(10-8-13)20-18(22)12-21(2)19(23)17-11-14-5-3-4-6-16(14)24-17/h3-10,17H,11-12H2,1-2H3,(H,20,22)
InChIKeyQRZJIEBVXWTUTP-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.11
Rot. Bonds4

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 51310482) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID51310482
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C19H20N2O2S/c1-13-7-9-15(10-8-13)20-18(22)12-21(2)19(23)17-11-14-5-3-4-6-16(14)24-17/h3-10,17H,11-12H2,1-2H3,(H,20,22)
InChIKeyQRZJIEBVXWTUTP-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate
CID 94250151
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2523881
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18104437
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729209
(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8704392
5-(2-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 55605253

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 51310482) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)C2Cc3ccccc3S2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is QRZJIEBVXWTUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-7-9-15(10-8-13)20-18(22)12-21(2)19(23)17-11-14-5-3-4-6-16(14)24-17/h3-10,17H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51310482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).