2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide

C14H22N2O5S — CID 5026363

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O5S/c1-11(14(17)15-9-4-10-20-2)16-22(18,19)13-7-5-12(21-3)6-8-13/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyVSNWICMTTYVPBB-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.51
Rot. Bonds9

About 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide

2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 5026363) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
PubChem CID5026363
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O5S/c1-11(14(17)15-9-4-10-20-2)16-22(18,19)13-7-5-12(21-3)6-8-13/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyVSNWICMTTYVPBB-UHFFFAOYSA-N
XLogP0.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.51
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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Related Compounds

N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24594322
N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890192
1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]amino]-3-(3-methylbutyl)thiourea
CID 9149900

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide (CID 5026363) is 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is VSNWICMTTYVPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-11(14(17)15-9-4-10-20-2)16-22(18,19)13-7-5-12(21-3)6-8-13/h5-8,11,16H,4,9-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide?
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 5026363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).