2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide

C17H19NOS — CID 107028146

IUPAC2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide
SMILESCCC(NC(=O)c1cc(S)ccc1C)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-3-16(13-7-5-4-6-8-13)18-17(19)15-11-14(20)10-9-12(15)2/h4-11,16,20H,3H2,1-2H3,(H,18,19)
InChIKeyQZMBVTCDWXCAFN-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.16
Rot. Bonds4

About 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide

2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide (PubChem CID 107028146) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide
PubChem CID107028146
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide
SMILESCCC(NC(=O)c1cc(S)ccc1C)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-3-16(13-7-5-4-6-8-13)18-17(19)15-11-14(20)10-9-12(15)2/h4-11,16,20H,3H2,1-2H3,(H,18,19)
InChIKeyQZMBVTCDWXCAFN-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.16
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

4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 99130880
2-methyl-N-pent-1-yn-3-yl-5-sulfanylbenzamide
CID 106229815
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide
CID 103296385
4-amino-6-methyl-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 81241004
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
2-methyl-N-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]benzamide
CID 95763013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide?
The IUPAC name of 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide (CID 107028146) is 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide is CCC(NC(=O)c1cc(S)ccc1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide?
The InChIKey is QZMBVTCDWXCAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-16(13-7-5-4-6-8-13)18-17(19)15-11-14(20)10-9-12(15)2/h4-11,16,20H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide?
2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide has a molecular weight of 285.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107028146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).