N-(3-phenylbutyl)-2-sulfanylbenzamide

C17H19NOS — CID 107028920

IUPACN-(3-phenylbutyl)-2-sulfanylbenzamide
SMILESCC(CCNC(=O)c1ccccc1S)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-13(14-7-3-2-4-8-14)11-12-18-17(19)15-9-5-6-10-16(15)20/h2-10,13,20H,11-12H2,1H3,(H,18,19)
InChIKeyNRISTQACARVXHK-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.90
Rot. Bonds5

About N-(3-phenylbutyl)-2-sulfanylbenzamide

N-(3-phenylbutyl)-2-sulfanylbenzamide (PubChem CID 107028920) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(3-phenylbutyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-phenylbutyl)-2-sulfanylbenzamide
PubChem CID107028920
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(3-phenylbutyl)-2-sulfanylbenzamide
SMILESCC(CCNC(=O)c1ccccc1S)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-13(14-7-3-2-4-8-14)11-12-18-17(19)15-9-5-6-10-16(15)20/h2-10,13,20H,11-12H2,1H3,(H,18,19)
InChIKeyNRISTQACARVXHK-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylbutyl)benzamide
CID 62403316
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
N-(4-hydroxypentyl)-2-sulfanylbenzamide
CID 106137767
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552
2-bromo-5-methyl-N-(3-phenylbutyl)benzamide
CID 80999630
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
N-[2-(3-methylbutanoylamino)ethyl]-2-sulfanylbenzamide
CID 108538517
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
N-[(3S)-3-phenylbutyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 164633867
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
2-amino-5-bromo-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986651

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-2-sulfanylbenzamide?
The IUPAC name of N-(3-phenylbutyl)-2-sulfanylbenzamide (CID 107028920) is N-(3-phenylbutyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(3-phenylbutyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(3-phenylbutyl)-2-sulfanylbenzamide is CC(CCNC(=O)c1ccccc1S)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)-2-sulfanylbenzamide?
The InChIKey is NRISTQACARVXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13(14-7-3-2-4-8-14)11-12-18-17(19)15-9-5-6-10-16(15)20/h2-10,13,20H,11-12H2,1H3,(H,18,19).
What are the key properties of N-(3-phenylbutyl)-2-sulfanylbenzamide?
N-(3-phenylbutyl)-2-sulfanylbenzamide has a molecular weight of 285.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107028920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).