N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C26H17F4N5OS — CID 135150981

IUPACN-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3s2)c(-c2nn[nH]n2)c1)C1(c2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C26H17F4N5OS/c27-20-12-15(26(28,29)30)5-8-19(20)25(9-10-25)24(36)31-16-6-7-17(18(13-16)23-32-34-35-33-23)22-11-14-3-1-2-4-21(14)37-22/h1-8,11-13H,9-10H2,(H,31,36)(H,32,33,34,35)
InChIKeyPJORRUFXEVLWMY-UHFFFAOYSA-N
MW523.52 g/mol
LogP6.58
Rot. Bonds5

About N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 135150981) has the molecular formula C26H17F4N5OS and a molecular weight of 523.52 g/mol. Its IUPAC name is N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID135150981
Molecular FormulaC26H17F4N5OS
Molecular Weight523.52 g/mol
Exact Mass523.11
IUPAC NameN-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3s2)c(-c2nn[nH]n2)c1)C1(c2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C26H17F4N5OS/c27-20-12-15(26(28,29)30)5-8-19(20)25(9-10-25)24(36)31-16-6-7-17(18(13-16)23-32-34-35-33-23)22-11-14-3-1-2-4-21(14)37-22/h1-8,11-13H,9-10H2,(H,31,36)(H,32,33,34,35)
InChIKeyPJORRUFXEVLWMY-UHFFFAOYSA-N
XLogP6.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.52
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-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

1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(piperidine-1-carbonyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138679694
N-[4-(4-ethylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 135151013
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138725466
1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 135178768
N-(cyclohexylmethyl)-4-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-methyl-2-(2H-tetrazol-5-yl)benzamide
CID 138679707
N-[2-fluoro-3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 161322658
N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 161110300
N-[4-(4-tert-butylimidazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-(2-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 160798399
potassium 2-(1-cyclobutylpyrazol-4-yl)-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate
CID 171476178
2-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoic acid
CID 135150999
1-(3-chlorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 135178641
1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178581

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 135150981) is N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-c2cc3ccccc3s2)c(-c2nn[nH]n2)c1)C1(c2ccc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is PJORRUFXEVLWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N5OS/c27-20-12-15(26(28,29)30)5-8-19(20)25(9-10-25)24(36)31-16-6-7-17(18(13-16)23-32-34-35-33-23)22-11-14-3-1-2-4-21(14)37-22/h1-8,11-13H,9-10H2,(H,31,36)(H,32,33,34,35).
What are the key properties of N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 523.52 g/mol, XLogP of 6.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzothiophen-2-yl)-3-(2H-tetrazol-5-yl)phenyl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135150981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).