N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

C19H27N3O4S — CID 8756858

IUPACN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H27N3O4S/c1-3-20-18(23)15(2)21-19(24)17-9-12-22(13-10-17)27(25,26)14-11-16-7-5-4-6-8-16/h4-8,11,14-15,17H,3,9-10,12-13H2,1-2H3,(H,20,23)(H,21,24)/b14-11+/t15-/m0/s1
InChIKeyLSOQSQCHLVDETF-GOFCXVBSSA-N
MW393.51 g/mol
LogP1.34
Rot. Bonds7

About N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 8756858) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
PubChem CID8756858
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H27N3O4S/c1-3-20-18(23)15(2)21-19(24)17-9-12-22(13-10-17)27(25,26)14-11-16-7-5-4-6-8-16/h4-8,11,14-15,17H,3,9-10,12-13H2,1-2H3,(H,20,23)(H,21,24)/b14-11+/t15-/m0/s1
InChIKeyLSOQSQCHLVDETF-GOFCXVBSSA-N
XLogP1.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435
1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 51148743
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 27335639
N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8689701
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 74659700
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 8750729
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
N-[2-(benzylamino)-2-oxoethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 39821898
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9476349
N-[(4-methoxyphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 7959643

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (CID 8756858) is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is CCNC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is LSOQSQCHLVDETF-GOFCXVBSSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-3-20-18(23)15(2)21-19(24)17-9-12-22(13-10-17)27(25,26)14-11-16-7-5-4-6-8-16/h4-8,11,14-15,17H,3,9-10,12-13H2,1-2H3,(H,20,23)(H,21,24)/b14-11+/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 8756858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).