N-(4-cyanophenyl)-2-sulfanylpropanamide

C10H10N2OS — CID 107021186

IUPACN-(4-cyanophenyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C10H10N2OS/c1-7(14)10(13)12-9-4-2-8(6-11)3-5-9/h2-5,7,14H,1H3,(H,12,13)
InChIKeyRNMUYRDQOHTQGT-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.82
Rot. Bonds2

About N-(4-cyanophenyl)-2-sulfanylpropanamide

N-(4-cyanophenyl)-2-sulfanylpropanamide (PubChem CID 107021186) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-sulfanylpropanamide
PubChem CID107021186
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameN-(4-cyanophenyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C10H10N2OS/c1-7(14)10(13)12-9-4-2-8(6-11)3-5-9/h2-5,7,14H,1H3,(H,12,13)
InChIKeyRNMUYRDQOHTQGT-UHFFFAOYSA-N
XLogP1.82
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-2-propan-2-yloxypropanamide
CID 43824380
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide
CID 7492581
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
1-(4-cyanophenyl)-3-(3-methylbutan-2-yl)urea
CID 47159354
6-amino-N-(4-cyanophenyl)-2-methylheptanamide
CID 65293297
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772187
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-sulfanylpropanamide?
The IUPAC name of N-(4-cyanophenyl)-2-sulfanylpropanamide (CID 107021186) is N-(4-cyanophenyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-sulfanylpropanamide is CC(S)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-sulfanylpropanamide?
The InChIKey is RNMUYRDQOHTQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7(14)10(13)12-9-4-2-8(6-11)3-5-9/h2-5,7,14H,1H3,(H,12,13).
What are the key properties of N-(4-cyanophenyl)-2-sulfanylpropanamide?
N-(4-cyanophenyl)-2-sulfanylpropanamide has a molecular weight of 206.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107021186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).