N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide

C18H12F3NO3S2 — CID 72717594

IUPACN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO3S2/c19-18(20,21)25-13-3-1-11(2-4-13)17(24)22-9-14-5-6-15(27-14)16(23)12-7-8-26-10-12/h1-8,10H,9H2,(H,22,24)
InChIKeyXPBVMXWFWKQFBS-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.87
Rot. Bonds6

About N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide

N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 72717594) has the molecular formula C18H12F3NO3S2 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID72717594
Molecular FormulaC18H12F3NO3S2
Molecular Weight411.43 g/mol
Exact Mass411.02
IUPAC NameN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO3S2/c19-18(20,21)25-13-3-1-11(2-4-13)17(24)22-9-14-5-6-15(27-14)16(23)12-7-8-26-10-12/h1-8,10H,9H2,(H,22,24)
InChIKeyXPBVMXWFWKQFBS-UHFFFAOYSA-N
XLogP4.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612509
3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
3,4-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717589
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
2,4-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612561
2,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612528
2,5-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612572
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 97106530

Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 72717594) is N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide is O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is XPBVMXWFWKQFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3S2/c19-18(20,21)25-13-3-1-11(2-4-13)17(24)22-9-14-5-6-15(27-14)16(23)12-7-8-26-10-12/h1-8,10H,9H2,(H,22,24).
What are the key properties of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 411.43 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 72717594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).