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

C20H17FN2O2S — CID 31521034

IUPACN-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide
SMILESO=C(CCc1cccc(F)c1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H17FN2O2S/c21-15-5-1-4-14(12-15)9-10-19(24)22-16-6-2-7-17(13-16)23-20(25)18-8-3-11-26-18/h1-8,11-13H,9-10H2,(H,22,24)(H,23,25)
InChIKeyTWEIGIJFKRXYIJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.71
Rot. Bonds6

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

N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide (PubChem CID 31521034) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide
PubChem CID31521034
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide
SMILESO=C(CCc1cccc(F)c1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H17FN2O2S/c21-15-5-1-4-14(12-15)9-10-19(24)22-16-6-2-7-17(13-16)23-20(25)18-8-3-11-26-18/h1-8,11-13H,9-10H2,(H,22,24)(H,23,25)
InChIKeyTWEIGIJFKRXYIJ-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 29335398
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 46568166
N-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31520800
N-[3-[3-[(3-fluorophenoxy)methyl]anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 38614236
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052
N-[3-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 31515825
N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31518712
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide (CID 31521034) is N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide is O=C(CCc1cccc(F)c1)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide?
The InChIKey is TWEIGIJFKRXYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-15-5-1-4-14(12-15)9-10-19(24)22-16-6-2-7-17(13-16)23-20(25)18-8-3-11-26-18/h1-8,11-13H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide?
N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31521034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).