N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C19H21F3N2OS — CID 126855428

IUPACN-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C19H21F3N2OS/c20-19(21,22)16-4-1-14(2-5-16)3-6-18(25)23-17-7-9-24(12-17)11-15-8-10-26-13-15/h1-2,4-5,8,10,13,17H,3,6-7,9,11-12H2,(H,23,25)
InChIKeyJERMZPNLZKPGQY-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.09
Rot. Bonds6

About N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 126855428) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID126855428
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC NameN-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C19H21F3N2OS/c20-19(21,22)16-4-1-14(2-5-16)3-6-18(25)23-17-7-9-24(12-17)11-15-8-10-26-13-15/h1-2,4-5,8,10,13,17H,3,6-7,9,11-12H2,(H,23,25)
InChIKeyJERMZPNLZKPGQY-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
CID 126851463
2-methylsulfanyl-N-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 96547753
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
1-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119888114
N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 42358991
N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 22888129
N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738004
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 119888128

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 126855428) is N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccsc2)C1.
What is the InChIKey of N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JERMZPNLZKPGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2OS/c20-19(21,22)16-4-1-14(2-5-16)3-6-18(25)23-17-7-9-24(12-17)11-15-8-10-26-13-15/h1-2,4-5,8,10,13,17H,3,6-7,9,11-12H2,(H,23,25).
What are the key properties of N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 382.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 126855428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).