2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate

C14H20F3N3O3S — CID 71685648

IUPAC2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate
SMILESCN(C)C(CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccsc1
InChIInChI=1S/C14H20F3N3O3S/c1-20(2)11(10-4-6-24-8-10)7-19-12(21)3-5-18-13(22)23-9-14(15,16)17/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyYSUQQAKULMZUHV-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.15
Rot. Bonds8

About 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate

2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate (PubChem CID 71685648) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate
PubChem CID71685648
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate
SMILESCN(C)C(CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccsc1
InChIInChI=1S/C14H20F3N3O3S/c1-20(2)11(10-4-6-24-8-10)7-19-12(21)3-5-18-13(22)23-9-14(15,16)17/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyYSUQQAKULMZUHV-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate (CID 71685648) is 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate is CN(C)C(CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccsc1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate?
The InChIKey is YSUQQAKULMZUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-20(2)11(10-4-6-24-8-10)7-19-12(21)3-5-18-13(22)23-9-14(15,16)17/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate?
2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate has a molecular weight of 367.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 71685648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).