2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide

C17H27NOS — CID 10379661

IUPAC2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1SC(C)(C)C)C(C)C
InChIInChI=1S/C17H27NOS/c1-12(2)18(13(3)4)16(19)14-10-8-9-11-15(14)20-17(5,6)7/h8-13H,1-7H3
InChIKeyMRPYEIWUQPYTEH-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.84
Rot. Bonds4

About 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide

2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide (PubChem CID 10379661) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide
PubChem CID10379661
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1SC(C)(C)C)C(C)C
InChIInChI=1S/C17H27NOS/c1-12(2)18(13(3)4)16(19)14-10-8-9-11-15(14)20-17(5,6)7/h8-13H,1-7H3
InChIKeyMRPYEIWUQPYTEH-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
2-[dimethyl(trimethylsilyl)silyl]-N,N-di(propan-2-yl)benzamide
CID 163323510
2-[2-[[2-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]diselanyl]phenyl]-N,N-di(propan-2-yl)benzamide
CID 15268349
2-[(E)-3-methylbut-1-enyl]-N,N-di(propan-2-yl)benzamide
CID 154706946
[2-[di(propan-2-yl)carbamoyl]phenoxy]boronic acid
CID 142726714
2,3-diamino-N,N-di(propan-2-yl)benzamide
CID 54534997
N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360
1-N,1-N,3-N,3-N-tetra(propan-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxamide
CID 102082053
silver;2-diphenylphosphanyl-N,N-di(propan-2-yl)benzamide;acetate
CID 56949989
2-[(E)-2-methylpent-2-enoyl]-N,N-di(propan-2-yl)benzamide
CID 10040543
N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide
CID 78860224
2-(1-tert-butylsulfanylethyl)benzoic acid
CID 175442834

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide (CID 10379661) is 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1SC(C)(C)C)C(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide?
The InChIKey is MRPYEIWUQPYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-12(2)18(13(3)4)16(19)14-10-8-9-11-15(14)20-17(5,6)7/h8-13H,1-7H3.
What are the key properties of 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide?
2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide has a molecular weight of 293.48 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 10379661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).