N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide

C18H19NO5S — CID 101397977

IUPACN-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide
SMILESCOc1ccc(C(=O)CCN(C=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO5S/c1-14-3-9-17(10-4-14)25(22,23)19(13-20)12-11-18(21)15-5-7-16(24-2)8-6-15/h3-10,13H,11-12H2,1-2H3
InChIKeyHNRYWOLTMXVRGO-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.42
Rot. Bonds8

About N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide

N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide (PubChem CID 101397977) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide
PubChem CID101397977
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide
SMILESCOc1ccc(C(=O)CCN(C=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO5S/c1-14-3-9-17(10-4-14)25(22,23)19(13-20)12-11-18(21)15-5-7-16(24-2)8-6-15/h3-10,13H,11-12H2,1-2H3
InChIKeyHNRYWOLTMXVRGO-UHFFFAOYSA-N
XLogP2.42
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide (CID 101397977) is N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide is COc1ccc(C(=O)CCN(C=O)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide?
The InChIKey is HNRYWOLTMXVRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-14-3-9-17(10-4-14)25(22,23)19(13-20)12-11-18(21)15-5-7-16(24-2)8-6-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide?
N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide has a molecular weight of 361.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-3-oxopropyl]-N-(4-methylphenyl)sulfonylformamide is sourced from PubChem (CID 101397977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).