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

C22H20ClFN2O3S — CID 55789182

IUPAC5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCCCOc1ccccc1
InChIInChI=1S/C22H20ClFN2O3S/c1-14-12-19(26-21(27)17-9-8-15(24)13-18(17)23)30-20(14)22(28)25-10-5-11-29-16-6-3-2-4-7-16/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyPWOUVMOXPIXVBF-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.30
Rot. Bonds8

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

5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide (PubChem CID 55789182) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide
PubChem CID55789182
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCCCOc1ccccc1
InChIInChI=1S/C22H20ClFN2O3S/c1-14-12-19(26-21(27)17-9-8-15(24)13-18(17)23)30-20(14)22(28)25-10-5-11-29-16-6-3-2-4-7-16/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyPWOUVMOXPIXVBF-UHFFFAOYSA-N
XLogP5.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chloro-4-fluorobenzoyl)amino]-N-[2-(4-chlorophenoxy)ethyl]-3-methylthiophene-2-carboxamide
CID 55729508
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-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide
CID 78894139
N-(3-anilinopropyl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 56586586
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 112841204
2-chloro-4-fluoro-N-[4-methyl-5-[(1H-pyrrole-2-carbonylamino)carbamoyl]thiophen-2-yl]benzamide
CID 78887621
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
N-(1-benzylpyrazol-4-yl)-5-[(2-chloro-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55948739
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide
CID 55851405
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[(2R)-2-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 120653979
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55789080
2-chloro-N-[4-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55734096

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide (CID 55789182) is 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCCCOc1ccccc1.
What is the InChIKey of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide?
The InChIKey is PWOUVMOXPIXVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-14-12-19(26-21(27)17-9-8-15(24)13-18(17)23)30-20(14)22(28)25-10-5-11-29-16-6-3-2-4-7-16/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide?
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide has a molecular weight of 446.93 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-(3-phenoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 55789182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).