4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide

C14H21NO5S — CID 110610417

IUPAC4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCOc1ccc(C(=O)NCCOC(C)C)cc1S(C)(=O)=O
InChIInChI=1S/C14H21NO5S/c1-10(2)20-8-7-15-14(16)11-5-6-12(19-3)13(9-11)21(4,17)18/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)
InChIKeyGOUPDUFVDQCCQB-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.25
Rot. Bonds7

About 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide

4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 110610417) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID110610417
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCOc1ccc(C(=O)NCCOC(C)C)cc1S(C)(=O)=O
InChIInChI=1S/C14H21NO5S/c1-10(2)20-8-7-15-14(16)11-5-6-12(19-3)13(9-11)21(4,17)18/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)
InChIKeyGOUPDUFVDQCCQB-UHFFFAOYSA-N
XLogP1.25
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide
CID 110632422
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 110675023
2-methoxy-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65367764
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110632717
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
4-methoxy-3-(2-propan-2-yloxyethylsulfonyl)benzoic acid
CID 61485281
N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
CID 110425977
4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 104578560
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide (CID 110610417) is 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide is COc1ccc(C(=O)NCCOC(C)C)cc1S(C)(=O)=O.
What is the InChIKey of 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is GOUPDUFVDQCCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-10(2)20-8-7-15-14(16)11-5-6-12(19-3)13(9-11)21(4,17)18/h5-6,9-10H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide?
4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 315.39 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 110610417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).