N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide

C20H16FN3O3S — CID 31518611

IUPACN-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H16FN3O3S/c21-16-8-2-1-7-15(16)19(26)22-12-18(25)23-13-5-3-6-14(11-13)24-20(27)17-9-4-10-28-17/h1-11H,12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyPTQJFOPLLDFTTH-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.51
Rot. Bonds6

About N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 31518611) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID31518611
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC NameN-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H16FN3O3S/c21-16-8-2-1-7-15(16)19(26)22-12-18(25)23-13-5-3-6-14(11-13)24-20(27)17-9-4-10-28-17/h1-11H,12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyPTQJFOPLLDFTTH-UHFFFAOYSA-N
XLogP3.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491975
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 56538607
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 55869846
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 134020922

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide (CID 31518611) is N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccccc1F)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is PTQJFOPLLDFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c21-16-8-2-1-7-15(16)19(26)22-12-18(25)23-13-5-3-6-14(11-13)24-20(27)17-9-4-10-28-17/h1-11H,12H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31518611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).