2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide

C19H19N3O3S — CID 167713872

IUPAC2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESCN(C)Cc1c(O)ccc2c(C(N)=O)c(NC(=O)c3ccccc3)sc12
InChIInChI=1S/C19H19N3O3S/c1-22(2)10-13-14(23)9-8-12-15(17(20)24)19(26-16(12)13)21-18(25)11-6-4-3-5-7-11/h3-9,23H,10H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyFETVNEVJIUPRNX-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.02
Rot. Bonds5

About 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide

2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide (PubChem CID 167713872) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide
PubChem CID167713872
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESCN(C)Cc1c(O)ccc2c(C(N)=O)c(NC(=O)c3ccccc3)sc12
InChIInChI=1S/C19H19N3O3S/c1-22(2)10-13-14(23)9-8-12-15(17(20)24)19(26-16(12)13)21-18(25)11-6-4-3-5-7-11/h3-9,23H,10H2,1-2H3,(H2,20,24)(H,21,25)
InChIKeyFETVNEVJIUPRNX-UHFFFAOYSA-N
XLogP3.02
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 833808
ethyl 2-benzamido-6-(diethylaminomethyl)-7-hydroxy-1-benzothiophene-3-carboxylate chloride
CID 53314549
7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 69449677
methyl 2-benzamido-6-(diethylaminomethyl)-7-hydroxy-1-benzothiophene-3-carboxylate
CID 162657624
N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 832523
7-ethynyl-6-hydroxy-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 130426684
ethyl 2-benzamido-6-(diethylaminomethyl)-7-methoxy-1-benzothiophene-3-carboxylate;hydrochloride
CID 162646608
ethyl 2-benzamido-7-hydroxy-6-[(4-methylpiperazin-1-yl)methyl]-1-benzothiophene-3-carboxylate
CID 1208127
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide
CID 141054220
7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11233555

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide (CID 167713872) is 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide is CN(C)Cc1c(O)ccc2c(C(N)=O)c(NC(=O)c3ccccc3)sc12.
What is the InChIKey of 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide?
The InChIKey is FETVNEVJIUPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-22(2)10-13-14(23)9-8-12-15(17(20)24)19(26-16(12)13)21-18(25)11-6-4-3-5-7-11/h3-9,23H,10H2,1-2H3,(H2,20,24)(H,21,25).
What are the key properties of 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide?
2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-7-[(dimethylamino)methyl]-6-hydroxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 167713872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).