N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide

C21H29N3O4S — CID 8922420

IUPACN-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN[C@@H](C)c3ccco3)cc2)C1
InChIInChI=1S/C21H29N3O4S/c1-15-11-16(2)14-24(13-15)29(26,27)19-8-6-18(7-9-19)23-21(25)12-22-17(3)20-5-4-10-28-20/h4-10,15-17,22H,11-14H2,1-3H3,(H,23,25)/t15-,16-,17+/m1/s1
InChIKeyFSURBUVLYMCEDD-ZACQAIPSSA-N
MW419.55 g/mol
LogP3.24
Rot. Bonds7

About N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide

N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide (PubChem CID 8922420) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
PubChem CID8922420
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN[C@@H](C)c3ccco3)cc2)C1
InChIInChI=1S/C21H29N3O4S/c1-15-11-16(2)14-24(13-15)29(26,27)19-8-6-18(7-9-19)23-21(25)12-22-17(3)20-5-4-10-28-20/h4-10,15-17,22H,11-14H2,1-3H3,(H,23,25)/t15-,16-,17+/m1/s1
InChIKeyFSURBUVLYMCEDD-ZACQAIPSSA-N
XLogP3.24
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide with MolForge

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Related Compounds

N-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]furan-2-carboxamide
CID 8009009
(E)-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(furan-2-yl)prop-2-enamide
CID 7921854
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917865
2-cyclopentyloxy-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958223
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(2-methoxyphenyl)acetamide
CID 7987505
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 46647395
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 26667345
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(1S)-1-(furan-2-yl)ethyl]-2-nitroaniline
CID 9026431
(3S)-3-(carbamoylamino)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-phenylpropanamide
CID 51929775
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8920009
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406241

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide (CID 8922420) is N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide is C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN[C@@H](C)c3ccco3)cc2)C1.
What is the InChIKey of N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
The InChIKey is FSURBUVLYMCEDD-ZACQAIPSSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-15-11-16(2)14-24(13-15)29(26,27)19-8-6-18(7-9-19)23-21(25)12-22-17(3)20-5-4-10-28-20/h4-10,15-17,22H,11-14H2,1-3H3,(H,23,25)/t15-,16-,17+/m1/s1.
What are the key properties of N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide?
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 8922420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).