N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

C18H30N2O4S — CID 55349463

IUPACN-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCCCCOCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H30N2O4S/c1-4-5-12-24-13-6-10-19-18(21)9-11-20-25(22,23)17-8-7-15(2)14-16(17)3/h7-8,14,20H,4-6,9-13H2,1-3H3,(H,19,21)
InChIKeyNTHJSAKURQNTBE-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.29
Rot. Bonds12

About N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 55349463) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID55349463
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCCCCOCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H30N2O4S/c1-4-5-12-24-13-6-10-19-18(21)9-11-20-25(22,23)17-8-7-15(2)14-16(17)3/h7-8,14,20H,4-6,9-13H2,1-3H3,(H,19,21)
InChIKeyNTHJSAKURQNTBE-UHFFFAOYSA-N
XLogP2.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.29
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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Related Compounds

3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55869727
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
3-cyclohexyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573893
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide
CID 47159796
N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309477
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
1-(3-butoxypropyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870596
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (CID 55349463) is N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is CCCCOCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is NTHJSAKURQNTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-4-5-12-24-13-6-10-19-18(21)9-11-20-25(22,23)17-8-7-15(2)14-16(17)3/h7-8,14,20H,4-6,9-13H2,1-3H3,(H,19,21).
What are the key properties of N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 370.52 g/mol, XLogP of 2.29, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55349463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).