N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide

C20H25N3O3S — CID 10068813

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide
SMILESCCCCCNc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12
InChIInChI=1S/C20H25N3O3S/c1-4-5-6-13-21-18-11-7-10-17-16(18)9-8-12-19(17)27(24,25)23-20-14(2)15(3)22-26-20/h7-12,21,23H,4-6,13H2,1-3H3
InChIKeyFGLMWLPVEOAXOS-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.85
Rot. Bonds8

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide (PubChem CID 10068813) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide
PubChem CID10068813
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide
SMILESCCCCCNc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12
InChIInChI=1S/C20H25N3O3S/c1-4-5-6-13-21-18-11-7-10-17-16(18)9-8-12-19(17)27(24,25)23-20-14(2)15(3)22-26-20/h7-12,21,23H,4-6,13H2,1-3H3
InChIKeyFGLMWLPVEOAXOS-UHFFFAOYSA-N
XLogP4.85
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide (CID 10068813) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide is CCCCCNc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide?
The InChIKey is FGLMWLPVEOAXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-5-6-13-21-18-11-7-10-17-16(18)9-8-12-19(17)27(24,25)23-20-14(2)15(3)22-26-20/h7-12,21,23H,4-6,13H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(pentylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10068813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).