N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C14H22N2O4S — CID 3558322

IUPACN-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCCCCNC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-5-10-15-14(17)11(2)16-21(18,19)13-8-6-12(20-3)7-9-13/h6-9,11,16H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyHZKPCWAZYAEELK-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.28
Rot. Bonds8

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

N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 3558322) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID3558322
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCCCCNC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-5-10-15-14(17)11(2)16-21(18,19)13-8-6-12(20-3)7-9-13/h6-9,11,16H,4-5,10H2,1-3H3,(H,15,17)
InChIKeyHZKPCWAZYAEELK-UHFFFAOYSA-N
XLogP1.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.28
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

2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
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)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24594322
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 3558322) is N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide is CCCCNC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is HZKPCWAZYAEELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-5-10-15-14(17)11(2)16-21(18,19)13-8-6-12(20-3)7-9-13/h6-9,11,16H,4-5,10H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 314.41 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3558322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).