N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide

C20H21N3O4S — CID 91817264

IUPACN-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
SMILESCc1cccc(S(=O)(=O)NCCC(=O)NCc2cccnc2-c2ccco2)c1
InChIInChI=1S/C20H21N3O4S/c1-15-5-2-7-17(13-15)28(25,26)23-11-9-19(24)22-14-16-6-3-10-21-20(16)18-8-4-12-27-18/h2-8,10,12-13,23H,9,11,14H2,1H3,(H,22,24)
InChIKeyVBYJVEQUDBASOP-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.63
Rot. Bonds8

About N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide

N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide (PubChem CID 91817264) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
PubChem CID91817264
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
SMILESCc1cccc(S(=O)(=O)NCCC(=O)NCc2cccnc2-c2ccco2)c1
InChIInChI=1S/C20H21N3O4S/c1-15-5-2-7-17(13-15)28(25,26)23-11-9-19(24)22-14-16-6-3-10-21-20(16)18-8-4-12-27-18/h2-8,10,12-13,23H,9,11,14H2,1H3,(H,22,24)
InChIKeyVBYJVEQUDBASOP-UHFFFAOYSA-N
XLogP2.63
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]propanamide
CID 91630558
3-[(3-methylphenyl)sulfonylamino]-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propanamide
CID 122276744
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 91630513
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 4968582
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177686
3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144820
2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide
CID 91817271
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
[2-(furan-2-yl)-3-pyridinyl]methanol
CID 91990185
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38533028

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide (CID 91817264) is N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide is Cc1cccc(S(=O)(=O)NCCC(=O)NCc2cccnc2-c2ccco2)c1.
What is the InChIKey of N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide?
The InChIKey is VBYJVEQUDBASOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-15-5-2-7-17(13-15)28(25,26)23-11-9-19(24)22-14-16-6-3-10-21-20(16)18-8-4-12-27-18/h2-8,10,12-13,23H,9,11,14H2,1H3,(H,22,24).
What are the key properties of N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide?
N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide has a molecular weight of 399.47 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-3-[(3-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 91817264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).