N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C14H22N2O4S — CID 3238544

IUPACN-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O4S/c1-12-4-6-13(7-5-12)21(18,19)16-10-8-14(17)15-9-3-11-20-2/h4-7,16H,3,8-11H2,1-2H3,(H,15,17)
InChIKeyFUOUOCAKHQQTLW-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.82
Rot. Bonds9

About N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 3238544) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID3238544
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O4S/c1-12-4-6-13(7-5-12)21(18,19)16-10-8-14(17)15-9-3-11-20-2/h4-7,16H,3,8-11H2,1-2H3,(H,15,17)
InChIKeyFUOUOCAKHQQTLW-UHFFFAOYSA-N
XLogP0.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 3238544) is N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is COCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is FUOUOCAKHQQTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-12-4-6-13(7-5-12)21(18,19)16-10-8-14(17)15-9-3-11-20-2/h4-7,16H,3,8-11H2,1-2H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 314.41 g/mol, XLogP of 0.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3238544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).