N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C16H20N2O2S — CID 87017619

IUPACN-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(21-14-7-5-13(20-2)6-8-14)15(19)18-16(11-17)9-3-4-10-16/h5-8,12H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyAAEMBPUVOKIPQN-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.13
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide

N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 87017619) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID87017619
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC2(C#N)CCCC2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(21-14-7-5-13(20-2)6-8-14)15(19)18-16(11-17)9-3-4-10-16/h5-8,12H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyAAEMBPUVOKIPQN-UHFFFAOYSA-N
XLogP3.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
(2S)-N-(1-cyanocyclohexyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8633916
(2R)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 7879593
(2R)-N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7683520
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821280
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(1-cyanocyclohexyl)propanamide
CID 9288919
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788458
(2S)-N-(1-cyanocyclohexyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7902727
(2R)-N-(1-cyanocyclohexyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9362265
N-(1-cyanocyclohexyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 18197675
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 87017619) is N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)NC2(C#N)CCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is AAEMBPUVOKIPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(21-14-7-5-13(20-2)6-8-14)15(19)18-16(11-17)9-3-4-10-16/h5-8,12H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 87017619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).