3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide

C15H18FN3OS — CID 103420723

IUPAC3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N(C)Cc2cccc(F)c2)cc1N
InChIInChI=1S/C15H18FN3OS/c1-18(2)15(20)14-12(17)8-13(21-14)19(3)9-10-5-4-6-11(16)7-10/h4-8H,9,17H2,1-3H3
InChIKeyOLBWCTPOLOMULX-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.81
Rot. Bonds4

About 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide

3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103420723) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
PubChem CID103420723
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N(C)Cc2cccc(F)c2)cc1N
InChIInChI=1S/C15H18FN3OS/c1-18(2)15(20)14-12(17)8-13(21-14)19(3)9-10-5-4-6-11(16)7-10/h4-8H,9,17H2,1-3H3
InChIKeyOLBWCTPOLOMULX-UHFFFAOYSA-N
XLogP2.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-2-thiophenecarboxamide
CID 4204024
5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490343
5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490356
2-{2-[(4-Fluoro-benzyl)-isobutyryl-amino]-acetylamino}-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 1460383
N-[2-(1-azepanylcarbonyl)-3-thienyl]benzenecarboxamide
CID 3746408
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]benzamide
CID 3557976
3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one
CID 3656139
5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490333
5-amino-4-N-cyclopentyl-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490362
2-(2-{N-[(4-Fluorophenyl)methyl]propanamido}acetamido)-4,5-dimethylthiophene-3-carboxamide
CID 1460377
2-{2-[(2,2-Dimethyl-propionyl)-(4-fluoro-benzyl)-amino]-acetylamino}-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 1460388
5-(4-Fluoro-phenyl)-3-methylamino-thiophene-2-carboxylic acid amide
CID 11579690

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide (CID 103420723) is 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1sc(N(C)Cc2cccc(F)c2)cc1N.
What is the InChIKey of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is OLBWCTPOLOMULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-18(2)15(20)14-12(17)8-13(21-14)19(3)9-10-5-4-6-11(16)7-10/h4-8H,9,17H2,1-3H3.
What are the key properties of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide?
3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103420723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).