N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C22H25FN4O5S — CID 55821878

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C22H25FN4O5S/c1-3-5-20-25-22(32-26-20)7-4-6-21(28)24-16-10-13-19(31-2)18(14-16)27-33(29,30)17-11-8-15(23)9-12-17/h8-14,27H,3-7H2,1-2H3,(H,24,28)
InChIKeyWFWHGRFDSJPFCR-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.93
Rot. Bonds11

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55821878) has the molecular formula C22H25FN4O5S and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55821878
Molecular FormulaC22H25FN4O5S
Molecular Weight476.53 g/mol
Exact Mass476.15
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C22H25FN4O5S/c1-3-5-20-25-22(32-26-20)7-4-6-21(28)24-16-10-13-19(31-2)18(14-16)27-33(29,30)17-11-8-15(23)9-12-17/h8-14,27H,3-7H2,1-2H3,(H,24,28)
InChIKeyWFWHGRFDSJPFCR-UHFFFAOYSA-N
XLogP3.93
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
CID 4788551
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 31801001
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
4-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)butanamide
CID 2985774
tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate
CID 56571419
N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55906165
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55821878) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)n1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is WFWHGRFDSJPFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O5S/c1-3-5-20-25-22(32-26-20)7-4-6-21(28)24-16-10-13-19(31-2)18(14-16)27-33(29,30)17-11-8-15(23)9-12-17/h8-14,27H,3-7H2,1-2H3,(H,24,28).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 476.53 g/mol, XLogP of 3.93, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55821878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).