N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide

C17H19NOS — CID 107026940

IUPACN-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(S)cc1
InChIInChI=1S/C17H19NOS/c1-13(7-8-14-5-3-2-4-6-14)18-17(19)15-9-11-16(20)12-10-15/h2-6,9-13,20H,7-8H2,1H3,(H,18,19)
InChIKeyGWWSLGIVIRNINH-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.73
Rot. Bonds5

About N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide

N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide (PubChem CID 107026940) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
PubChem CID107026940
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(S)cc1
InChIInChI=1S/C17H19NOS/c1-13(7-8-14-5-3-2-4-6-14)18-17(19)15-9-11-16(20)12-10-15/h2-6,9-13,20H,7-8H2,1H3,(H,18,19)
InChIKeyGWWSLGIVIRNINH-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
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-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
CID 40746031
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100778918
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide (CID 107026940) is N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide is CC(CCc1ccccc1)NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide?
The InChIKey is GWWSLGIVIRNINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13(7-8-14-5-3-2-4-6-14)18-17(19)15-9-11-16(20)12-10-15/h2-6,9-13,20H,7-8H2,1H3,(H,18,19).
What are the key properties of N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide?
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide has a molecular weight of 285.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide is sourced from PubChem (CID 107026940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).