N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline

C20H30N4O5S — CID 55534043

IUPACN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
SMILESCCCCc1noc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)n1
InChIInChI=1S/C20H30N4O5S/c1-4-5-6-19-22-20(29-23-19)14-21-17-13-16(7-8-18(17)28-15(2)3)30(25,26)24-9-11-27-12-10-24/h7-8,13,15,21H,4-6,9-12,14H2,1-3H3
InChIKeyZYBHFSSQFCLRII-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.83
Rot. Bonds10

About N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline

N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline (PubChem CID 55534043) has the molecular formula C20H30N4O5S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
PubChem CID55534043
Molecular FormulaC20H30N4O5S
Molecular Weight438.55 g/mol
Exact Mass438.19
IUPAC NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
SMILESCCCCc1noc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)n1
InChIInChI=1S/C20H30N4O5S/c1-4-5-6-19-22-20(29-23-19)14-21-17-13-16(7-8-18(17)28-15(2)3)30(25,26)24-9-11-27-12-10-24/h7-8,13,15,21H,4-6,9-12,14H2,1-3H3
InChIKeyZYBHFSSQFCLRII-UHFFFAOYSA-N
XLogP2.83
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86919559
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 55365370
5-(azepan-1-ylsulfonyl)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxyaniline
CID 60535316
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide
CID 55346937
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
CID 3868598
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)ethanone
CID 55346901
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
3-(4-ethoxyphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24981047
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 135968579

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline?
The IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline (CID 55534043) is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline?
The canonical SMILES for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline is CCCCc1noc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)n1.
What is the InChIKey of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline?
The InChIKey is ZYBHFSSQFCLRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5S/c1-4-5-6-19-22-20(29-23-19)14-21-17-13-16(7-8-18(17)28-15(2)3)30(25,26)24-9-11-27-12-10-24/h7-8,13,15,21H,4-6,9-12,14H2,1-3H3.
What are the key properties of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline?
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline has a molecular weight of 438.55 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 55534043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).