2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide

C22H28N2O2S — CID 156768959

IUPAC2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide
SMILESCC(C)(Cc1ccccc1C(N)=O)SC(C)(C)Cc1ccccc1C(N)=O
InChIInChI=1S/C22H28N2O2S/c1-21(2,13-15-9-5-7-11-17(15)19(23)25)27-22(3,4)14-16-10-6-8-12-18(16)20(24)26/h5-12H,13-14H2,1-4H3,(H2,23,25)(H2,24,26)
InChIKeyCLWGPMIZABWOFO-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.96
Rot. Bonds8

About 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide

2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide (PubChem CID 156768959) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide
PubChem CID156768959
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide
SMILESCC(C)(Cc1ccccc1C(N)=O)SC(C)(C)Cc1ccccc1C(N)=O
InChIInChI=1S/C22H28N2O2S/c1-21(2,13-15-9-5-7-11-17(15)19(23)25)27-22(3,4)14-16-10-6-8-12-18(16)20(24)26/h5-12H,13-14H2,1-4H3,(H2,23,25)(H2,24,26)
InChIKeyCLWGPMIZABWOFO-UHFFFAOYSA-N
XLogP3.96
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropylsulfanylmethyl)benzamide
CID 66218202
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-[(2-amino-2-methylpropyl)sulfinylmethyl]benzamide
CID 81189474
methyl 3-[(2-carbamoylphenyl)methylsulfanyl]-2-methylpropanoate
CID 66113999
2-butylbenzamide
CID 15468173
2-(2-amino-2-methylpropyl)benzoic acid
CID 175240257
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide
CID 113476297
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(2-carbamoylphenyl)-2-methoxypropanoic acid
CID 91245671
2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 65106384
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
CID 24694851
2-tert-butyl-3-(chloromethyl)benzamide
CID 68727672

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide?
The IUPAC name of 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide (CID 156768959) is 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide.
What is the SMILES notation for 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide?
The canonical SMILES for 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide is CC(C)(Cc1ccccc1C(N)=O)SC(C)(C)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide?
The InChIKey is CLWGPMIZABWOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-21(2,13-15-9-5-7-11-17(15)19(23)25)27-22(3,4)14-16-10-6-8-12-18(16)20(24)26/h5-12H,13-14H2,1-4H3,(H2,23,25)(H2,24,26).
What are the key properties of 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide?
2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide has a molecular weight of 384.55 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide is sourced from PubChem (CID 156768959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).