N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide

C17H17F3N2O3S2 — CID 26061202

IUPACN-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3S2/c18-17(19,20)13-5-3-12(4-6-13)16(23)21-11-14-7-8-15(26-14)27(24,25)22-9-1-2-10-22/h3-8H,1-2,9-11H2,(H,21,23)
InChIKeyZGTZWLQFCFUWFI-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.48
Rot. Bonds5

About N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide

N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 26061202) has the molecular formula C17H17F3N2O3S2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID26061202
Molecular FormulaC17H17F3N2O3S2
Molecular Weight418.46 g/mol
Exact Mass418.06
IUPAC NameN-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O3S2/c18-17(19,20)13-5-3-12(4-6-13)16(23)21-11-14-7-8-15(26-14)27(24,25)22-9-1-2-10-22/h3-8H,1-2,9-11H2,(H,21,23)
InChIKeyZGTZWLQFCFUWFI-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53112444
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-cyanobenzamide
CID 53112426
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87631975
3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide
CID 17424428
4-chloro-N-[[5-[3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 57443958
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 17481811
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 41322705
4-chloro-N-[[5-[3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 68659307
4-chloro-N-[[5-[2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 142684911

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide (CID 26061202) is N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZGTZWLQFCFUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S2/c18-17(19,20)13-5-3-12(4-6-13)16(23)21-11-14-7-8-15(26-14)27(24,25)22-9-1-2-10-22/h3-8H,1-2,9-11H2,(H,21,23).
What are the key properties of N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 418.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 26061202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).