N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C25H27N3O5S — CID 41138290

IUPACN-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C25H27N3O5S/c29-24(23-12-7-17-33-23)26-22(18-20-8-3-1-4-9-20)25(30)27-13-15-28(16-14-27)34(31,32)19-21-10-5-2-6-11-21/h1-12,17,22H,13-16,18-19H2,(H,26,29)/t22-/m0/s1
InChIKeyQIFSUHNBNKHPOQ-QFIPXVFZSA-N
MW481.57 g/mol
LogP2.29
Rot. Bonds8

About N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 41138290) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID41138290
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccco1
InChIInChI=1S/C25H27N3O5S/c29-24(23-12-7-17-33-23)26-22(18-20-8-3-1-4-9-20)25(30)27-13-15-28(16-14-27)34(31,32)19-21-10-5-2-6-11-21/h1-12,17,22H,13-16,18-19H2,(H,26,29)/t22-/m0/s1
InChIKeyQIFSUHNBNKHPOQ-QFIPXVFZSA-N
XLogP2.29
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 33045636
N-[1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]furan-2-carboxamide
CID 55550533
N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 166257021
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 78780464
N-[1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55918145
N-[1-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55427114
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045
1-(4-benzylsulfonylpiperazin-1-yl)-2-ethylbutan-1-one
CID 78779180
N-[1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 17433135
N-[(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41210107
N-[1-oxo-3-phenyl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-2-yl]furan-2-carboxamide
CID 46700233

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 41138290) is N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccco1.
What is the InChIKey of N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is QIFSUHNBNKHPOQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27N3O5S/c29-24(23-12-7-17-33-23)26-22(18-20-8-3-1-4-9-20)25(30)27-13-15-28(16-14-27)34(31,32)19-21-10-5-2-6-11-21/h1-12,17,22H,13-16,18-19H2,(H,26,29)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 41138290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).