4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide

C19H16F2N2O2S — CID 30752027

IUPAC4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cc3c(F)cccc3s2)cc1F
InChIInChI=1S/C19H16F2N2O2S/c1-11-5-6-12(9-15(11)21)18(24)22-7-8-23-19(25)17-10-13-14(20)3-2-4-16(13)26-17/h2-6,9-10H,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeyVMAQALYDVYHQOR-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.65
Rot. Bonds5

About 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide

4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 30752027) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
PubChem CID30752027
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC Name4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cc3c(F)cccc3s2)cc1F
InChIInChI=1S/C19H16F2N2O2S/c1-11-5-6-12(9-15(11)21)18(24)22-7-8-23-19(25)17-10-13-14(20)3-2-4-16(13)26-17/h2-6,9-10H,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeyVMAQALYDVYHQOR-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide
CID 55545508
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55782825
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
4-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9455401
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 35350648
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570
4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832289
3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172399
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate
CID 34073469
2-[[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465286
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide (CID 30752027) is 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2cc3c(F)cccc3s2)cc1F.
What is the InChIKey of 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is VMAQALYDVYHQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-11-5-6-12(9-15(11)21)18(24)22-7-8-23-19(25)17-10-13-14(20)3-2-4-16(13)26-17/h2-6,9-10H,7-8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 30752027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).