N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide

C20H24N2O3S — CID 9157831

IUPACN-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@H](CNC(=O)C2CC2)c2cccnc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-14(2)15-7-9-18(10-8-15)26(24,25)19(17-4-3-11-21-12-17)13-22-20(23)16-5-6-16/h3-4,7-12,14,16,19H,5-6,13H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyHWYLTEDAKSTRIG-LJQANCHMSA-N
MW372.49 g/mol
LogP3.25
Rot. Bonds7

About N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide

N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide (PubChem CID 9157831) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
PubChem CID9157831
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@H](CNC(=O)C2CC2)c2cccnc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-14(2)15-7-9-18(10-8-15)26(24,25)19(17-4-3-11-21-12-17)13-22-20(23)16-5-6-16/h3-4,7-12,14,16,19H,5-6,13H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyHWYLTEDAKSTRIG-LJQANCHMSA-N
XLogP3.25
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157423
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide
CID 9153281
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
CID 9158051
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-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 21007644
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide (CID 9157831) is N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide is CC(C)c1ccc(S(=O)(=O)[C@H](CNC(=O)C2CC2)c2cccnc2)cc1.
What is the InChIKey of N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide?
The InChIKey is HWYLTEDAKSTRIG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14(2)15-7-9-18(10-8-15)26(24,25)19(17-4-3-11-21-12-17)13-22-20(23)16-5-6-16/h3-4,7-12,14,16,19H,5-6,13H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide?
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 9157831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).