2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide

C17H19NO4S — CID 86918589

IUPAC2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c1-13(23(20,21)16-9-4-3-5-10-16)17(19)18-12-14-7-6-8-15(11-14)22-2/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeySBVFSWJWSLVPSR-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.17
Rot. Bonds6

About 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide

2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 86918589) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID86918589
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO4S/c1-13(23(20,21)16-9-4-3-5-10-16)17(19)18-12-14-7-6-8-15(11-14)22-2/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeySBVFSWJWSLVPSR-UHFFFAOYSA-N
XLogP2.17
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(4-nitrophenyl)sulfonylpropanamide
CID 17436771
2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 86992957
(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
CID 94027401
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 91309670
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 9495719
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187724
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 947246

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide (CID 86918589) is 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)C(C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is SBVFSWJWSLVPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13(23(20,21)16-9-4-3-5-10-16)17(19)18-12-14-7-6-8-15(11-14)22-2/h3-11,13H,12H2,1-2H3,(H,18,19).
What are the key properties of 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide?
2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 333.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 86918589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).