N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide

C18H20N2O2S — CID 112758656

IUPACN-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(2)23-16-7-5-4-6-15(16)18(22)20-14-10-8-13(9-11-14)17(21)19-3/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyIKPKTLVXZPRQDN-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.80
Rot. Bonds5

About N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide

N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 112758656) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID112758656
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(2)23-16-7-5-4-6-15(16)18(22)20-14-10-8-13(9-11-14)17(21)19-3/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyIKPKTLVXZPRQDN-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 78773494
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
CID 9179609
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 78773955
N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 17224668
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate
CID 9173341

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide (CID 112758656) is N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide is CNC(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1.
What is the InChIKey of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is IKPKTLVXZPRQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12(2)23-16-7-5-4-6-15(16)18(22)20-14-10-8-13(9-11-14)17(21)19-3/h4-12H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide?
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 328.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 112758656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).