N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide

C16H16ClNOS — CID 17224527

IUPACN-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNOS/c1-11(2)20-15-6-4-3-5-14(15)16(19)18-13-9-7-12(17)8-10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyRBODOKDEKNAOQI-UHFFFAOYSA-N
MW305.83 g/mol
LogP5.09
Rot. Bonds4

About N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide

N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide (PubChem CID 17224527) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
PubChem CID17224527
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNOS/c1-11(2)20-15-6-4-3-5-14(15)16(19)18-13-9-7-12(17)8-10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyRBODOKDEKNAOQI-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.83
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 78773494
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 112758656
N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224609
N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
CID 9179609
N-(4-chlorophenyl)-2-(methanesulfonamidosulfanyl)benzamide
CID 22131294
N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 51148209
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78778091
N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 17224668
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide (CID 17224527) is N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide?
The InChIKey is RBODOKDEKNAOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-11(2)20-15-6-4-3-5-14(15)16(19)18-13-9-7-12(17)8-10-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide?
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide has a molecular weight of 305.83 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 17224527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).