N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide

C26H29N3O5S — CID 26007431

IUPACN-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-19(27-26(31)24-8-5-17-34-24)25(30)28-22-9-11-23(12-10-22)35(32,33)29-15-13-21(14-16-29)18-20-6-3-2-4-7-20/h2-12,17,19,21H,13-16,18H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1
InChIKeyYZGKIMLGAPRWHR-IBGZPJMESA-N
MW495.60 g/mol
LogP3.68
Rot. Bonds8

About N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 26007431) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID26007431
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-19(27-26(31)24-8-5-17-34-24)25(30)28-22-9-11-23(12-10-22)35(32,33)29-15-13-21(14-16-29)18-20-6-3-2-4-7-20/h2-12,17,19,21H,13-16,18H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1
InChIKeyYZGKIMLGAPRWHR-IBGZPJMESA-N
XLogP3.68
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 40834225
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
CID 24635381
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-2-nitrocyclopropane-1-carboxamide
CID 55774121
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26906391
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405
N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 49058408
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 45353571
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate
CID 42971861
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55875990
N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide
CID 4885012

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 26007431) is N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is YZGKIMLGAPRWHR-IBGZPJMESA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-19(27-26(31)24-8-5-17-34-24)25(30)28-22-9-11-23(12-10-22)35(32,33)29-15-13-21(14-16-29)18-20-6-3-2-4-7-20/h2-12,17,19,21H,13-16,18H2,1H3,(H,27,31)(H,28,30)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 26007431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).