N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C20H22F3NOS — CID 46083086

IUPACN-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCCCC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H22F3NOS/c21-20(22,23)16-9-5-8-15(12-16)17-10-11-18(26-17)19(25)24-13-14-6-3-1-2-4-7-14/h5,8-12,14H,1-4,6-7,13H2,(H,24,25)
InChIKeyUSGBIPPDBPWTGM-UHFFFAOYSA-N
MW381.46 g/mol
LogP6.13
Rot. Bonds4

About N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 46083086) has the molecular formula C20H22F3NOS and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID46083086
Molecular FormulaC20H22F3NOS
Molecular Weight381.46 g/mol
Exact Mass381.14
IUPAC NameN-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCCCCC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H22F3NOS/c21-20(22,23)16-9-5-8-15(12-16)17-10-11-18(26-17)19(25)24-13-14-6-3-1-2-4-7-14/h5,8-12,14H,1-4,6-7,13H2,(H,24,25)
InChIKeyUSGBIPPDBPWTGM-UHFFFAOYSA-N
XLogP6.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-yl]methyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 44527073
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752
N-cyclohexyl-N-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082788
N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 24720307
N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 143533891
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796721
N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 92760464
N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082792
phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
CID 135016793
N-[5-(diethylamino)pentan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082931
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 143533823

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 46083086) is N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(NCC1CCCCCC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is USGBIPPDBPWTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NOS/c21-20(22,23)16-9-5-8-15(12-16)17-10-11-18(26-17)19(25)24-13-14-6-3-1-2-4-7-14/h5,8-12,14H,1-4,6-7,13H2,(H,24,25).
What are the key properties of N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46083086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).