N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide

C16H25NO4S — CID 3242296

IUPACN-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCCOCCCNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1
InChIInChI=1S/C16H25NO4S/c1-3-21-11-4-10-17-16(18)9-12-22(19,20)13-15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,18)
InChIKeyLGHNDTNLBJZRQQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.84
Rot. Bonds10

About N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 3242296) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID3242296
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCCOCCCNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1
InChIInChI=1S/C16H25NO4S/c1-3-21-11-4-10-17-16(18)9-12-22(19,20)13-15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,18)
InChIKeyLGHNDTNLBJZRQQ-UHFFFAOYSA-N
XLogP1.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
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-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 3242296) is N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide is CCOCCCNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is LGHNDTNLBJZRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-3-21-11-4-10-17-16(18)9-12-22(19,20)13-15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,18).
What are the key properties of N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 327.45 g/mol, XLogP of 1.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 3242296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).