N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide

C19H22N2O3S — CID 9157423

IUPACN-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)C2CC2)c2cccnc2)cc1C
InChIInChI=1S/C19H22N2O3S/c1-13-5-8-17(10-14(13)2)25(23,24)18(16-4-3-9-20-11-16)12-21-19(22)15-6-7-15/h3-5,8-11,15,18H,6-7,12H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyMMTNRFNSZWKDKD-GOSISDBHSA-N
MW358.46 g/mol
LogP2.74
Rot. Bonds6

About N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide

N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide (PubChem CID 9157423) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
PubChem CID9157423
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)C2CC2)c2cccnc2)cc1C
InChIInChI=1S/C19H22N2O3S/c1-13-5-8-17(10-14(13)2)25(23,24)18(16-4-3-9-20-11-16)12-21-19(22)15-6-7-15/h3-5,8-11,15,18H,6-7,12H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyMMTNRFNSZWKDKD-GOSISDBHSA-N
XLogP2.74
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157831
2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9157462
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 21007644
3-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9157472
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]cyclohexanecarboxamide
CID 9153281
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
CID 9157485
(E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide
CID 9157609
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-fluorobenzamide
CID 9157535
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
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-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide (CID 9157423) is N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C2CC2)c2cccnc2)cc1C.
What is the InChIKey of N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide?
The InChIKey is MMTNRFNSZWKDKD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-5-8-17(10-14(13)2)25(23,24)18(16-4-3-9-20-11-16)12-21-19(22)15-6-7-15/h3-5,8-11,15,18H,6-7,12H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide?
N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 9157423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).