N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide

C20H19N3O2S — CID 95189125

IUPACN-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
SMILESC[C@H](c1ccco1)N(C)Cc1cccc(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C20H19N3O2S/c1-14(18-7-4-9-25-18)23(2)13-15-5-3-6-16(11-15)19(24)22-20-17(12-21)8-10-26-20/h3-11,14H,13H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyVXSSYAOQKQGQEP-CQSZACIVSA-N
MW365.46 g/mol
LogP4.66
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide

N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide (PubChem CID 95189125) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
PubChem CID95189125
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
SMILESC[C@H](c1ccco1)N(C)Cc1cccc(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C20H19N3O2S/c1-14(18-7-4-9-25-18)23(2)13-15-5-3-6-16(11-15)19(24)22-20-17(12-21)8-10-26-20/h3-11,14H,13H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyVXSSYAOQKQGQEP-CQSZACIVSA-N
XLogP4.66
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide
CID 95207088
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919655
N-(3-cyanothiophen-2-yl)-3-methoxybenzamide
CID 2377141
N-(3-cyanothiophen-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 18587111
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
3-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573622
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2105110
N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028916
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111107846

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide (CID 95189125) is N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide is C[C@H](c1ccco1)N(C)Cc1cccc(C(=O)Nc2sccc2C#N)c1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide?
The InChIKey is VXSSYAOQKQGQEP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14(18-7-4-9-25-18)23(2)13-15-5-3-6-16(11-15)19(24)22-20-17(12-21)8-10-26-20/h3-11,14H,13H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide?
N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[[[(1R)-1-(furan-2-yl)ethyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 95189125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).