N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide

C16H21N3O4S — CID 17248850

IUPACN-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H21N3O4S/c1-2-9-17-15(20)16(21)18-12-13-5-7-14(8-6-13)24(22,23)19-10-3-4-11-19/h2,5-8H,1,3-4,9-12H2,(H,17,20)(H,18,21)
InChIKeyIAXDJQVWIUDRDG-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.39
Rot. Bonds6

About N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide

N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide (PubChem CID 17248850) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide
PubChem CID17248850
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H21N3O4S/c1-2-9-17-15(20)16(21)18-12-13-5-7-14(8-6-13)24(22,23)19-10-3-4-11-19/h2,5-8H,1,3-4,9-12H2,(H,17,20)(H,18,21)
InChIKeyIAXDJQVWIUDRDG-UHFFFAOYSA-N
XLogP0.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide
CID 3220629
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
1-ethyl-3-prop-2-enyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110980901
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759228
1-(4-chlorophenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]urea
CID 108782077
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide?
The IUPAC name of N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide (CID 17248850) is N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide.
What is the SMILES notation for N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide?
The canonical SMILES for N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide is C=CCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide?
The InChIKey is IAXDJQVWIUDRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-2-9-17-15(20)16(21)18-12-13-5-7-14(8-6-13)24(22,23)19-10-3-4-11-19/h2,5-8H,1,3-4,9-12H2,(H,17,20)(H,18,21).
What are the key properties of N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide?
N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide has a molecular weight of 351.43 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide is sourced from PubChem (CID 17248850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).