2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide

C17H18N4O2S — CID 71851462

IUPAC2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C17H18N4O2S/c22-17(12-21-11-16(18-19-21)13-5-6-13)20(9-14-3-1-7-23-14)10-15-4-2-8-24-15/h1-4,7-8,11,13H,5-6,9-10,12H2
InChIKeyCNMUFUKPXGEUOW-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.04
Rot. Bonds7

About 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 71851462) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID71851462
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C17H18N4O2S/c22-17(12-21-11-16(18-19-21)13-5-6-13)20(9-14-3-1-7-23-14)10-15-4-2-8-24-15/h1-4,7-8,11,13H,5-6,9-10,12H2
InChIKeyCNMUFUKPXGEUOW-UHFFFAOYSA-N
XLogP3.04
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-furoyl)-4-[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]piperidine
CID 29026809
1-(3-methyl-2-furoyl)-4-[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]piperidine
CID 29256186
(2-furylmethyl)[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl](3-thienylmethyl)amine
CID 50983604
2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 71851380
1-[1-(2-furyl)ethyl]-4-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1H-1,2,3-triazole
CID 72915780
1-(1-allyl-3-methyl-1H-pyrazol-4-yl)-N-(2-furylmethyl)-N-(2-thienylmethyl)methanamine
CID 46995428
2-(4-cyclopropyltriazol-1-yl)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 75426671
(2S)-2-[1-[(2-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 99964523
(2R)-2-[1-[(2-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 99964524
(2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 99964525
(2R)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 99964526
(2S)-2-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 99964551

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 71851462) is 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cc(C2CC2)nn1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CNMUFUKPXGEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-17(12-21-11-16(18-19-21)13-5-6-13)20(9-14-3-1-7-23-14)10-15-4-2-8-24-15/h1-4,7-8,11,13H,5-6,9-10,12H2.
What are the key properties of 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyltriazol-1-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 71851462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).