2-tert-butylsulfinyl-N-phenylbenzamide

C17H19NO2S — CID 18629996

IUPAC2-tert-butylsulfinyl-N-phenylbenzamide
SMILESCC(C)(C)S(=O)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-17(2,3)21(20)15-12-8-7-11-14(15)16(19)18-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,18,19)
InChIKeyIEWGOGJMLJTUOR-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.85
Rot. Bonds3

About 2-tert-butylsulfinyl-N-phenylbenzamide

2-tert-butylsulfinyl-N-phenylbenzamide (PubChem CID 18629996) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-tert-butylsulfinyl-N-phenylbenzamide
PubChem CID18629996
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-tert-butylsulfinyl-N-phenylbenzamide
SMILESCC(C)(C)S(=O)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-17(2,3)21(20)15-12-8-7-11-14(15)16(19)18-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,18,19)
InChIKeyIEWGOGJMLJTUOR-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-2-methylsulfinylbenzamide
CID 12718460
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-hydroxy-N-phenylbenzamide
CID 157209959
N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide
CID 39967717
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964
CID 164666940
CID 164666940
oxo-[1-[2-(phenylcarbamoyl)phenyl]ethyl]sulfanium
CID 174297215
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-hydrazinyl-N-phenylbenzamide
CID 12569370
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-N-phenylbenzamide?
The IUPAC name of 2-tert-butylsulfinyl-N-phenylbenzamide (CID 18629996) is 2-tert-butylsulfinyl-N-phenylbenzamide.
What is the SMILES notation for 2-tert-butylsulfinyl-N-phenylbenzamide?
The canonical SMILES for 2-tert-butylsulfinyl-N-phenylbenzamide is CC(C)(C)S(=O)c1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-tert-butylsulfinyl-N-phenylbenzamide?
The InChIKey is IEWGOGJMLJTUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-17(2,3)21(20)15-12-8-7-11-14(15)16(19)18-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,18,19).
What are the key properties of 2-tert-butylsulfinyl-N-phenylbenzamide?
2-tert-butylsulfinyl-N-phenylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-N-phenylbenzamide is sourced from PubChem (CID 18629996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).