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

C21H25N3O4S — CID 9158051

IUPACN'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H25N3O4S/c1-4-11-23-20(25)21(26)24-14-19(17-6-5-12-22-13-17)29(27,28)18-9-7-16(8-10-18)15(2)3/h4-10,12-13,15,19H,1,11,14H2,2-3H3,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyDDEPVXJEJDWWSQ-IBGZPJMESA-N
MW415.52 g/mol
LogP2.14
Rot. Bonds8

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

N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide (PubChem CID 9158051) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
PubChem CID9158051
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H25N3O4S/c1-4-11-23-20(25)21(26)24-14-19(17-6-5-12-22-13-17)29(27,28)18-9-7-16(8-10-18)15(2)3/h4-10,12-13,15,19H,1,11,14H2,2-3H3,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyDDEPVXJEJDWWSQ-IBGZPJMESA-N
XLogP2.14
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.14
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'}

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Related Compounds

N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
CID 9156533
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157831
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9157756
N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
CID 9157905
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N'-[(2R)-butan-2-yl]-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155188
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9154240
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide (CID 9158051) is N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide?
The InChIKey is DDEPVXJEJDWWSQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-4-11-23-20(25)21(26)24-14-19(17-6-5-12-22-13-17)29(27,28)18-9-7-16(8-10-18)15(2)3/h4-10,12-13,15,19H,1,11,14H2,2-3H3,(H,23,25)(H,24,26)/t19-/m0/s1.
What are the key properties of N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide?
N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide has a molecular weight of 415.52 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 9158051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).