N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide

C17H16FNOS — CID 726142

IUPACN-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide
SMILESO=C(NC1CC1)c1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C17H16FNOS/c18-13-7-5-12(6-8-13)11-21-16-4-2-1-3-15(16)17(20)19-14-9-10-14/h1-8,14H,9-11H2,(H,19,20)
InChIKeyGEMDDQCXJPAZSH-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.01
Rot. Bonds5

About N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide

N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide (PubChem CID 726142) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide
PubChem CID726142
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC NameN-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide
SMILESO=C(NC1CC1)c1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C17H16FNOS/c18-13-7-5-12(6-8-13)11-21-16-4-2-1-3-15(16)17(20)19-14-9-10-14/h1-8,14H,9-11H2,(H,19,20)
InChIKeyGEMDDQCXJPAZSH-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-cyclopropylbenzamide
CID 41455363
(2-benzylsulfanylphenyl)-(4-fluorophenyl)methanone
CID 151592012
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
CID 9046628
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626
2-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentylbenzamide
CID 37345038
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251816
2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid
CID 4101619
N-[2-(cyclopropylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 29353067
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
The IUPAC name of N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide (CID 726142) is N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide is O=C(NC1CC1)c1ccccc1SCc1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
The InChIKey is GEMDDQCXJPAZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c18-13-7-5-12(6-8-13)11-21-16-4-2-1-3-15(16)17(20)19-14-9-10-14/h1-8,14H,9-11H2,(H,19,20).
What are the key properties of N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide is sourced from PubChem (CID 726142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).