N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide

C19H15FN2O2S2 — CID 31516052

IUPACN-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CSc1ccccc1F)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H15FN2O2S2/c20-15-7-1-2-8-16(15)26-12-18(23)21-13-5-3-6-14(11-13)22-19(24)17-9-4-10-25-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyUNEPXBYUHZSKCZ-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.87
Rot. Bonds6

About N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 31516052) has the molecular formula C19H15FN2O2S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID31516052
Molecular FormulaC19H15FN2O2S2
Molecular Weight386.47 g/mol
Exact Mass386.06
IUPAC NameN-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CSc1ccccc1F)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H15FN2O2S2/c20-15-7-1-2-8-16(15)26-12-18(23)21-13-5-3-6-14(11-13)22-19(24)17-9-4-10-25-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyUNEPXBYUHZSKCZ-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611
2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide
CID 30769927
N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298764
N-[3-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31515987
N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906203
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 18202310
N-[3-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 5018636
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906207
N-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31520800
N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31521034
N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 56538607
N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298761

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide (CID 31516052) is N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide is O=C(CSc1ccccc1F)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is UNEPXBYUHZSKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S2/c20-15-7-1-2-8-16(15)26-12-18(23)21-13-5-3-6-14(11-13)22-19(24)17-9-4-10-25-17/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31516052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).