N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide

C19H19N3O2S — CID 57024632

IUPACN-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide
SMILESN#CCNC(=O)C(CCNC(=O)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C19H19N3O2S/c20-12-14-22-19(24)17(25-16-9-5-2-6-10-16)11-13-21-18(23)15-7-3-1-4-8-15/h1-10,17H,11,13-14H2,(H,21,23)(H,22,24)
InChIKeyFDYOLATZYHCGPQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.61
Rot. Bonds8

About N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide

N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide (PubChem CID 57024632) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide.

Molecular Properties

Compound NameN-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide
PubChem CID57024632
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide
SMILESN#CCNC(=O)C(CCNC(=O)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C19H19N3O2S/c20-12-14-22-19(24)17(25-16-9-5-2-6-10-16)11-13-21-18(23)15-7-3-1-4-8-15/h1-10,17H,11,13-14H2,(H,21,23)(H,22,24)
InChIKeyFDYOLATZYHCGPQ-UHFFFAOYSA-N
XLogP2.61
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanopropyl)benzamide
CID 62666234
N-(3-phenylbutyl)benzamide
CID 62403316
N-(4-hydroxy-3-methylbutyl)benzamide
CID 130383332
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
N-[3-(cyanomethylamino)-3-oxo-2-(pyridin-3-ylmethylsulfanyl)propyl]benzamide
CID 57170740
N-[1-(cyanomethylamino)-1-oxo-4-phenoxybutan-2-yl]benzamide
CID 18421801
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-benzyl-2-phenylsulfanylbutanamide
CID 86913040
N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride
CID 119431776
N-[2-benzylsulfanyl-3-(cyanomethylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 87848249

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide?
The IUPAC name of N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide (CID 57024632) is N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide.
What is the SMILES notation for N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide?
The canonical SMILES for N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide is N#CCNC(=O)C(CCNC(=O)c1ccccc1)Sc1ccccc1.
What is the InChIKey of N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide?
The InChIKey is FDYOLATZYHCGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c20-12-14-22-19(24)17(25-16-9-5-2-6-10-16)11-13-21-18(23)15-7-3-1-4-8-15/h1-10,17H,11,13-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide?
N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide has a molecular weight of 353.45 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethylamino)-4-oxo-3-phenylsulfanylbutyl]benzamide is sourced from PubChem (CID 57024632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).