(2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide

C21H20N4O4S — CID 25499038

IUPAC(2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide
SMILESC[C@@H](Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C21H20N4O4S/c1-15(21(26)25-17-6-2-5-16(11-17)13-22)24-18-7-3-9-20(12-18)30(27,28)23-14-19-8-4-10-29-19/h2-12,15,23-24H,14H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyJJKQZUWUKKVOQT-OAHLLOKOSA-N
MW424.48 g/mol
LogP3.07
Rot. Bonds8

About (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide

(2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide (PubChem CID 25499038) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide
PubChem CID25499038
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name(2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide
SMILESC[C@@H](Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C21H20N4O4S/c1-15(21(26)25-17-6-2-5-16(11-17)13-22)24-18-7-3-9-20(12-18)30(27,28)23-14-19-8-4-10-29-19/h2-12,15,23-24H,14H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeyJJKQZUWUKKVOQT-OAHLLOKOSA-N
XLogP3.07
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-cyanoanilino)-1-oxopropan-2-yl] (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate
CID 55317776
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86934875
2-(3-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 55342838
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
CID 51143303
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36717175
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
CID 25408581
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 135687356
(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755318

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide (CID 25499038) is (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide is C[C@@H](Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide?
The InChIKey is JJKQZUWUKKVOQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-15(21(26)25-17-6-2-5-16(11-17)13-22)24-18-7-3-9-20(12-18)30(27,28)23-14-19-8-4-10-29-19/h2-12,15,23-24H,14H2,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide?
(2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide has a molecular weight of 424.48 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-[3-(furan-2-ylmethylsulfamoyl)anilino]propanamide is sourced from PubChem (CID 25499038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).