(1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide

C14H17F3N2O4S — CID 163395959

IUPAC(1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
SMILESCO[C@H]1C[C@H](N)[C@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O4S/c1-23-9-6-11(12(18)7-9)13(20)19-8-3-2-4-10(5-8)24(21,22)14(15,16)17/h2-5,9,11-12H,6-7,18H2,1H3,(H,19,20)/t9-,11-,12+/m1/s1
InChIKeyYPMHHMNYSJCPAU-JLLWLGSASA-N
MW366.36 g/mol
LogP1.67
Rot. Bonds4

About (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide

(1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 163395959) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
PubChem CID163395959
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name(1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
SMILESCO[C@H]1C[C@H](N)[C@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O4S/c1-23-9-6-11(12(18)7-9)13(20)19-8-3-2-4-10(5-8)24(21,22)14(15,16)17/h2-5,9,11-12H,6-7,18H2,1H3,(H,19,20)/t9-,11-,12+/m1/s1
InChIKeyYPMHHMNYSJCPAU-JLLWLGSASA-N
XLogP1.67
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide (CID 163395959) is (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide is CO[C@H]1C[C@H](N)[C@H](C(=O)Nc2cccc(S(=O)(=O)C(F)(F)F)c2)C1.
What is the InChIKey of (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is YPMHHMNYSJCPAU-JLLWLGSASA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-23-9-6-11(12(18)7-9)13(20)19-8-3-2-4-10(5-8)24(21,22)14(15,16)17/h2-5,9,11-12H,6-7,18H2,1H3,(H,19,20)/t9-,11-,12+/m1/s1.
What are the key properties of (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
(1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 163395959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).