N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide

C23H24N4O3S — CID 55591110

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)no1
InChIInChI=1S/C23H24N4O3S/c1-14(16-9-11-18(12-10-16)26-22(28)17-7-8-17)24-23(29)19-5-3-4-6-20(19)31-13-21-25-15(2)30-27-21/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyUEVFVILEJRMVEL-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.51
Rot. Bonds8

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide (PubChem CID 55591110) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
PubChem CID55591110
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)no1
InChIInChI=1S/C23H24N4O3S/c1-14(16-9-11-18(12-10-16)26-22(28)17-7-8-17)24-23(29)19-5-3-4-6-20(19)31-13-21-25-15(2)30-27-21/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyUEVFVILEJRMVEL-UHFFFAOYSA-N
XLogP4.51
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 42941720
N-(4-bromophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46530867
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 42941717
N-(4-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46549403
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 18140921
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 36653747
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78851356
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 71943116
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(2-methyl-2-phenylpropyl)benzamide
CID 39702738
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 134025623

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide (CID 55591110) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide is Cc1nc(CSc2ccccc2C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)no1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide?
The InChIKey is UEVFVILEJRMVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-14(16-9-11-18(12-10-16)26-22(28)17-7-8-17)24-23(29)19-5-3-4-6-20(19)31-13-21-25-15(2)30-27-21/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide has a molecular weight of 436.54 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55591110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).