4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide

C17H18ClNOS — CID 27648094

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNOS/c1-12(2)19-17(20)14-5-3-13(4-6-14)11-21-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyZJQLMWROOIIYCL-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.77
Rot. Bonds5

About 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide

4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide (PubChem CID 27648094) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
PubChem CID27648094
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNOS/c1-12(2)19-17(20)14-5-3-13(4-6-14)11-21-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyZJQLMWROOIIYCL-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 46763987
N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 119628946
4-[(4-chlorophenyl)sulfanylmethyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 112793477
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 7841089
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133235547
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
CID 3097680
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352324

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide (CID 27648094) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide?
The InChIKey is ZJQLMWROOIIYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-12(2)19-17(20)14-5-3-13(4-6-14)11-21-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide?
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide has a molecular weight of 319.86 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 27648094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).