2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C19H23F3N2OS — CID 8996675

IUPAC2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC[C@H](C)c1ccc([C@H](NCC(=O)NCC(F)(F)F)c2cccs2)cc1
InChIInChI=1S/C19H23F3N2OS/c1-3-13(2)14-6-8-15(9-7-14)18(16-5-4-10-26-16)23-11-17(25)24-12-19(20,21)22/h4-10,13,18,23H,3,11-12H2,1-2H3,(H,24,25)/t13-,18-/m0/s1
InChIKeyPNDQDBPIFPHOQG-UGSOOPFHSA-N
MW384.47 g/mol
LogP4.62
Rot. Bonds8

About 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 8996675) has the molecular formula C19H23F3N2OS and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID8996675
Molecular FormulaC19H23F3N2OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC[C@H](C)c1ccc([C@H](NCC(=O)NCC(F)(F)F)c2cccs2)cc1
InChIInChI=1S/C19H23F3N2OS/c1-3-13(2)14-6-8-15(9-7-14)18(16-5-4-10-26-16)23-11-17(25)24-12-19(20,21)22/h4-10,13,18,23H,3,11-12H2,1-2H3,(H,24,25)/t13-,18-/m0/s1
InChIKeyPNDQDBPIFPHOQG-UGSOOPFHSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8996916
2-[[(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8996919
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8996748
2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8996651
2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 8867924
N'-[2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8996622
2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8769647
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
N-(3-methylbutyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867294
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393747

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 8996675) is 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CC[C@H](C)c1ccc([C@H](NCC(=O)NCC(F)(F)F)c2cccs2)cc1.
What is the InChIKey of 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PNDQDBPIFPHOQG-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H23F3N2OS/c1-3-13(2)14-6-8-15(9-7-14)18(16-5-4-10-26-16)23-11-17(25)24-12-19(20,21)22/h4-10,13,18,23H,3,11-12H2,1-2H3,(H,24,25)/t13-,18-/m0/s1.
What are the key properties of 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 384.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 8996675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).