N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide

C18H14F3NO3S2 — CID 97106530

IUPACN-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO3S2/c19-18(20,21)25-12-5-3-11(4-6-12)17(24)22-10-13-7-8-15(27-13)16(23)14-2-1-9-26-14/h1-9,16,23H,10H2,(H,22,24)/t16-/m0/s1
InChIKeyOSDZOJWZAARKHV-INIZCTEOSA-N
MW413.44 g/mol
LogP4.72
Rot. Bonds6

About N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide

N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 97106530) has the molecular formula C18H14F3NO3S2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID97106530
Molecular FormulaC18H14F3NO3S2
Molecular Weight413.44 g/mol
Exact Mass413.04
IUPAC NameN-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO3S2/c19-18(20,21)25-12-5-3-11(4-6-12)17(24)22-10-13-7-8-15(27-13)16(23)14-2-1-9-26-14/h1-9,16,23H,10H2,(H,22,24)/t16-/m0/s1
InChIKeyOSDZOJWZAARKHV-INIZCTEOSA-N
XLogP4.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
4-(dimethylamino)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 71804637
3,4-diethoxy-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583545
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]furan-3-carboxamide
CID 71804666
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2,4,6-trimethylbenzamide
CID 90583475
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide
CID 90583461
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 90583483
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 72717594
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 90583516
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 97106530) is N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide is O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is OSDZOJWZAARKHV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14F3NO3S2/c19-18(20,21)25-12-5-3-11(4-6-12)17(24)22-10-13-7-8-15(27-13)16(23)14-2-1-9-26-14/h1-9,16,23H,10H2,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 413.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 97106530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).