5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide

C24H18ClFN2O2S — CID 112841204

IUPAC5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C24H18ClFN2O2S/c1-14-11-21(28-23(29)19-10-9-17(26)12-20(19)25)31-22(14)24(30)27-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3,(H,27,30)(H,28,29)
InChIKeyOAYFZAQGNBHCIE-UHFFFAOYSA-N
MW452.94 g/mol
LogP6.18
Rot. Bonds5

About 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide (PubChem CID 112841204) has the molecular formula C24H18ClFN2O2S and a molecular weight of 452.94 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
PubChem CID112841204
Molecular FormulaC24H18ClFN2O2S
Molecular Weight452.94 g/mol
Exact Mass452.08
IUPAC Name5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C24H18ClFN2O2S/c1-14-11-21(28-23(29)19-10-9-17(26)12-20(19)25)31-22(14)24(30)27-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3,(H,27,30)(H,28,29)
InChIKeyOAYFZAQGNBHCIE-UHFFFAOYSA-N
XLogP6.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55789080
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide
CID 119506730
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide
CID 55789182
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[(2R)-2-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 120653979
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[2-(4-chlorophenoxy)ethyl]-3-methylthiophene-2-carboxamide
CID 55729508
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide
CID 78894139
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methylthiophene-2-carboxamide
CID 56560758
2-chloro-4-fluoro-N-[4-methyl-5-[(1H-pyrrole-2-carbonylamino)carbamoyl]thiophen-2-yl]benzamide
CID 78887621
N-(1-benzylpyrazol-4-yl)-5-[(2-chloro-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55948739
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55734581
5-[(2-chloro-4-fluorobenzoyl)amino]-N-(4-ethylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 55870829
2-chloro-4-fluoro-N-naphthalen-1-ylbenzamide
CID 26087324

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide (CID 112841204) is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?
The InChIKey is OAYFZAQGNBHCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2S/c1-14-11-21(28-23(29)19-10-9-17(26)12-20(19)25)31-22(14)24(30)27-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-12H,13H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide?
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 112841204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).