4-[(3-phenoxyphenyl)methylsulfonyl]butanamide

C17H19NO4S — CID 70082556

IUPAC4-[(3-phenoxyphenyl)methylsulfonyl]butanamide
SMILESNC(=O)CCCS(=O)(=O)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c18-17(19)10-5-11-23(20,21)13-14-6-4-9-16(12-14)22-15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2,(H2,18,19)
InChIKeyVCCCSDIPPKPZOB-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.66
Rot. Bonds8

About 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide

4-[(3-phenoxyphenyl)methylsulfonyl]butanamide (PubChem CID 70082556) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide.

Molecular Properties

Compound Name4-[(3-phenoxyphenyl)methylsulfonyl]butanamide
PubChem CID70082556
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name4-[(3-phenoxyphenyl)methylsulfonyl]butanamide
SMILESNC(=O)CCCS(=O)(=O)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c18-17(19)10-5-11-23(20,21)13-14-6-4-9-16(12-14)22-15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2,(H2,18,19)
InChIKeyVCCCSDIPPKPZOB-UHFFFAOYSA-N
XLogP2.66
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzylsulfonylpropanamide;hydrochloride
CID 142652348
2-oxo-4-(3-phenoxyphenyl)butanoic acid
CID 82185753
2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine
CID 82185960
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
(3-phenoxyphenyl)methylphosphane
CID 70930904
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
CID 174876749
CID 174876749
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
2-[(3-phenoxyphenyl)methoxy]-N-phenyloctanediamide
CID 145473758
4-[(3-phenoxyphenyl)methylamino]butanoic acid
CID 60782758
(3-phenoxyphenyl)methyl 5,6,6-trifluorohex-5-enoate
CID 19793840

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide?
The IUPAC name of 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide (CID 70082556) is 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide.
What is the SMILES notation for 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide?
The canonical SMILES for 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide is NC(=O)CCCS(=O)(=O)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide?
The InChIKey is VCCCSDIPPKPZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c18-17(19)10-5-11-23(20,21)13-14-6-4-9-16(12-14)22-15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2,(H2,18,19).
What are the key properties of 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide?
4-[(3-phenoxyphenyl)methylsulfonyl]butanamide has a molecular weight of 333.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenoxyphenyl)methylsulfonyl]butanamide is sourced from PubChem (CID 70082556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).