N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide

C18H18ClN3O4S — CID 9156533

IUPACN'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O4S/c1-2-9-21-17(23)18(24)22-12-16(13-4-3-10-20-11-13)27(25,26)15-7-5-14(19)6-8-15/h2-8,10-11,16H,1,9,12H2,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyLVFZNQJAYWOMNF-INIZCTEOSA-N
MW407.88 g/mol
LogP1.67
Rot. Bonds7

About N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide

N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide (PubChem CID 9156533) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
PubChem CID9156533
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O4S/c1-2-9-21-17(23)18(24)22-12-16(13-4-3-10-20-11-13)27(25,26)15-7-5-14(19)6-8-15/h2-8,10-11,16H,1,9,12H2,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyLVFZNQJAYWOMNF-INIZCTEOSA-N
XLogP1.67
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
CID 9158051
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N'-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 18574088
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9156145
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794323
2-(4-chlorophenoxy)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 16957820
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide (CID 9156533) is N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide?
The InChIKey is LVFZNQJAYWOMNF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-2-9-21-17(23)18(24)22-12-16(13-4-3-10-20-11-13)27(25,26)15-7-5-14(19)6-8-15/h2-8,10-11,16H,1,9,12H2,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide?
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide has a molecular weight of 407.88 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 9156533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).