N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide

C24H26FN3O2S — CID 23937548

IUPACN-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)(CN)CN(Cc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C24H26FN3O2S/c1-24(2,15-26)16-28(23(30)18-5-3-6-19(25)13-18)14-17-8-10-20(11-9-17)27-22(29)21-7-4-12-31-21/h3-13H,14-16,26H2,1-2H3,(H,27,29)
InChIKeyKJHLPNGHVCIDBB-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.77
Rot. Bonds8

About N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide

N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 23937548) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
PubChem CID23937548
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)(CN)CN(Cc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C24H26FN3O2S/c1-24(2,15-26)16-28(23(30)18-5-3-6-19(25)13-18)14-17-8-10-20(11-9-17)27-22(29)21-7-4-12-31-21/h3-13H,14-16,26H2,1-2H3,(H,27,29)
InChIKeyKJHLPNGHVCIDBB-UHFFFAOYSA-N
XLogP4.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[3-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23799827
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23736138
N-(3-amino-2,2-dimethylpropyl)-N-[[5-[(4-tert-butylbenzoyl)amino]-2-chlorophenyl]methyl]-3-fluorobenzamide
CID 23883500
methyl N-[3-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]-4-chlorophenyl]carbamate
CID 23933553
N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-(cyclopropanecarbonylamino)phenyl]methyl]-3-fluorobenzamide
CID 23795138
N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23769883
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30707274
N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
CID 23969364
N-[4-[[(3-amino-2,2-dimethylpropyl)-(1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 23880697
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
N-[4-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl]thiophene-2-carboxamide
CID 89394302

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide (CID 23937548) is N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide is CC(C)(CN)CN(Cc1ccc(NC(=O)c2cccs2)cc1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is KJHLPNGHVCIDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-24(2,15-26)16-28(23(30)18-5-3-6-19(25)13-18)14-17-8-10-20(11-9-17)27-22(29)21-7-4-12-31-21/h3-13H,14-16,26H2,1-2H3,(H,27,29).
What are the key properties of N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide?
N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 23937548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).