(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide

C21H19N3O2 — CID 8755318

IUPAC(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
SMILESC[C@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C21H19N3O2/c1-15(21(25)24-18-10-5-7-16(13-18)14-22)23-20(19-11-6-12-26-19)17-8-3-2-4-9-17/h2-13,15,20,23H,1H3,(H,24,25)/t15-,20-/m0/s1
InChIKeyPVSJKSUDHCRYIB-YWZLYKJASA-N
MW345.40 g/mol
LogP3.86
Rot. Bonds6

About (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide

(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide (PubChem CID 8755318) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
PubChem CID8755318
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
SMILESC[C@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C21H19N3O2/c1-15(21(25)24-18-10-5-7-16(13-18)14-22)23-20(19-11-6-12-26-19)17-8-3-2-4-9-17/h2-13,15,20,23H,1H3,(H,24,25)/t15-,20-/m0/s1
InChIKeyPVSJKSUDHCRYIB-YWZLYKJASA-N
XLogP3.86
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755316
(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
CID 7509535
N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide
CID 42911710
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8755382
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
CID 51143303
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8696252
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755176
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
CID 9445795
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 7749943

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide (CID 8755318) is (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide is C[C@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide?
The InChIKey is PVSJKSUDHCRYIB-YWZLYKJASA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15(21(25)24-18-10-5-7-16(13-18)14-22)23-20(19-11-6-12-26-19)17-8-3-2-4-9-17/h2-13,15,20,23H,1H3,(H,24,25)/t15-,20-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide?
(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide is sourced from PubChem (CID 8755318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).