(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C17H17F3N2O2S — CID 41435480

IUPAC(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C17H17F3N2O2S/c1-11(23)22-14(15-3-2-8-25-15)9-16(24)21-10-12-4-6-13(7-5-12)17(18,19)20/h2-8,14H,9-10H2,1H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeyRCRZQYFNJVDCKI-CQSZACIVSA-N
MW370.40 g/mol
LogP3.65
Rot. Bonds6

About (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 41435480) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID41435480
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C17H17F3N2O2S/c1-11(23)22-14(15-3-2-8-25-15)9-16(24)21-10-12-4-6-13(7-5-12)17(18,19)20/h2-8,14H,9-10H2,1H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeyRCRZQYFNJVDCKI-CQSZACIVSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 47042062
(3R)-3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-ylpropanamide
CID 26072257
3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 71894859
(3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 41217571
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903975
3-(carbamoylamino)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 46524392
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 41435480) is (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CC(=O)N[C@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is RCRZQYFNJVDCKI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-11(23)22-14(15-3-2-8-25-15)9-16(24)21-10-12-4-6-13(7-5-12)17(18,19)20/h2-8,14H,9-10H2,1H3,(H,21,24)(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 370.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 41435480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).