3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide

C19H20N2O2S — CID 113241711

IUPAC3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N(CCO)Cc3ccccc3)sc2c1
InChIInChI=1S/C19H20N2O2S/c1-13-7-8-15-16(11-13)24-18(17(15)20)19(23)21(9-10-22)12-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12,20H2,1H3
InChIKeyQKAJDJBDUFIOBF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.43
Rot. Bonds5

About 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide

3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide (PubChem CID 113241711) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide
PubChem CID113241711
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N(CCO)Cc3ccccc3)sc2c1
InChIInChI=1S/C19H20N2O2S/c1-13-7-8-15-16(11-13)24-18(17(15)20)19(23)21(9-10-22)12-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12,20H2,1H3
InChIKeyQKAJDJBDUFIOBF-UHFFFAOYSA-N
XLogP3.43
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-bromo-N-ethyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 114907804
3-amino-N-butyl-N-(2-hydroxyethyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932257
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 79380356
3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide
CID 81302007
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
N-benzyl-N-[2-[benzyl-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]ethyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 4546244
3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106311382
N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 75466636
N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide
CID 78865370
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
CID 114907680
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide (CID 113241711) is 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2c(N)c(C(=O)N(CCO)Cc3ccccc3)sc2c1.
What is the InChIKey of 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is QKAJDJBDUFIOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-7-8-15-16(11-13)24-18(17(15)20)19(23)21(9-10-22)12-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12,20H2,1H3.
What are the key properties of 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 113241711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).