N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H19F3N2OS — CID 63709337

IUPACN-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H19F3N2OS/c1-10(2)19(8-11-4-3-7-21-11)12(20)13(14(15,16)17)5-6-18-9-13/h3-4,7,10,18H,5-6,8-9H2,1-2H3
InChIKeyUTQTZJOUWJZFGP-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.03
Rot. Bonds4

About N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709337) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709337
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC NameN-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H19F3N2OS/c1-10(2)19(8-11-4-3-7-21-11)12(20)13(14(15,16)17)5-6-18-9-13/h3-4,7,10,18H,5-6,8-9H2,1-2H3
InChIKeyUTQTZJOUWJZFGP-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709323
3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 63135259
thiophen-2-ylmethyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 55227065
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 63142751
4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 115294700
N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106974977
1-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
CID 76921031
N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167757145
N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708224
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709337) is N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)N(Cc1cccs1)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UTQTZJOUWJZFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-10(2)19(8-11-4-3-7-21-11)12(20)13(14(15,16)17)5-6-18-9-13/h3-4,7,10,18H,5-6,8-9H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).