2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide

C19H23NO4S — CID 86923044

IUPAC2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)C(C)S(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO4S/c1-15-7-6-10-18(13-15)24-12-11-20-19(21)16(2)25(22,23)14-17-8-4-3-5-9-17/h3-10,13,16H,11-12,14H2,1-2H3,(H,20,21)
InChIKeyFFOIISKZEBZRIE-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.49
Rot. Bonds8

About 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide

2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide (PubChem CID 86923044) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide
PubChem CID86923044
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)C(C)S(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO4S/c1-15-7-6-10-18(13-15)24-12-11-20-19(21)16(2)25(22,23)14-17-8-4-3-5-9-17/h3-10,13,16H,11-12,14H2,1-2H3,(H,20,21)
InChIKeyFFOIISKZEBZRIE-UHFFFAOYSA-N
XLogP2.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.49
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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Related Compounds

(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027199
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
N-[2-(3-methylphenoxy)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27859309
2-[3-(3-methylphenoxy)propylsulfonyl]propanoic acid
CID 82180795
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 76923611
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
2-[(3-bromophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55573485
2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86926221
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
(2S)-2-[(3-bromophenyl)methylsulfonyl]-N-(2-methoxyethyl)propanamide
CID 52504520

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
The IUPAC name of 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide (CID 86923044) is 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide is Cc1cccc(OCCNC(=O)C(C)S(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
The InChIKey is FFOIISKZEBZRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-15-7-6-10-18(13-15)24-12-11-20-19(21)16(2)25(22,23)14-17-8-4-3-5-9-17/h3-10,13,16H,11-12,14H2,1-2H3,(H,20,21).
What are the key properties of 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide has a molecular weight of 361.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 86923044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).