N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide

C18H29N3O5S — CID 88974567

IUPACN-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCCCCOc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(N=O)c1
InChIInChI=1S/C18H29N3O5S/c1-4-5-12-26-15-9-10-16(17(13-15)21-23)20-18(22)8-6-7-11-19-27(24,25)14(2)3/h9-10,13-14,19H,4-8,11-12H2,1-3H3,(H,20,22)
InChIKeyLEULWZLNIIYSKJ-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.70
Rot. Bonds13

About N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide

N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 88974567) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID88974567
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC NameN-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCCCCOc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(N=O)c1
InChIInChI=1S/C18H29N3O5S/c1-4-5-12-26-15-9-10-16(17(13-15)21-23)20-18(22)8-6-7-11-19-27(24,25)14(2)3/h9-10,13-14,19H,4-8,11-12H2,1-3H3,(H,20,22)
InChIKeyLEULWZLNIIYSKJ-UHFFFAOYSA-N
XLogP3.70
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629143
N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide
CID 10272739
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
CID 20629238
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55977497
N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3365224
N-[5-(4-butoxy-3-hydroxyanilino)pentyl]propane-2-sulfonamide
CID 70939723
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide (CID 88974567) is N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide is CCCCOc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(N=O)c1.
What is the InChIKey of N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is LEULWZLNIIYSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-4-5-12-26-15-9-10-16(17(13-15)21-23)20-18(22)8-6-7-11-19-27(24,25)14(2)3/h9-10,13-14,19H,4-8,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide?
N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 399.51 g/mol, XLogP of 3.70, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-2-nitrosophenyl)-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 88974567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).