N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C20H24F3NOS — CID 92760464

IUPACN-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)CCC[C@H](C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H24F3NOS/c1-13(2)6-4-7-14(3)24-19(25)18-11-10-17(26-18)15-8-5-9-16(12-15)20(21,22)23/h5,8-14H,4,6-7H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyYSUQQQWMJXQXTR-AWEZNQCLSA-N
MW383.48 g/mol
LogP6.38
Rot. Bonds7

About N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 92760464) has the molecular formula C20H24F3NOS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID92760464
Molecular FormulaC20H24F3NOS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC NameN-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)CCC[C@H](C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H24F3NOS/c1-13(2)6-4-7-14(3)24-19(25)18-11-10-17(26-18)15-8-5-9-16(12-15)20(21,22)23/h5,8-14H,4,6-7H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyYSUQQQWMJXQXTR-AWEZNQCLSA-N
XLogP6.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082931
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 67237992
N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46083086
phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
CID 135016793
N-(5-bromopentan-2-yl)-3-(trifluoromethyl)benzamide
CID 114316538
N-(6-methylheptan-2-yl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
CID 46083057
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 82542305
(2S)-3-[5-(3-methyl-2,6-dioxopyrimidin-1-yl)naphthalen-1-yl]-2-[[5-[3-(trifluoromethyl)phenyl]thiophene-2-carbonyl]amino]propanoic acid
CID 177292160
N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 24720307
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
5-[3-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 126431934
N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082792

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 92760464) is N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CC(C)CCC[C@H](C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is YSUQQQWMJXQXTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24F3NOS/c1-13(2)6-4-7-14(3)24-19(25)18-11-10-17(26-18)15-8-5-9-16(12-15)20(21,22)23/h5,8-14H,4,6-7H2,1-3H3,(H,24,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 92760464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).