N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide

C15H23NOS — CID 17224632

IUPACN-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
SMILESCCC(CC)NC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C15H23NOS/c1-5-12(6-2)16-15(17)13-9-7-8-10-14(13)18-11(3)4/h7-12H,5-6H2,1-4H3,(H,16,17)
InChIKeyDLTRLEBDJTZTJC-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.11
Rot. Bonds6

About N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide

N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide (PubChem CID 17224632) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
PubChem CID17224632
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
SMILESCCC(CC)NC(=O)c1ccccc1SC(C)C
InChIInChI=1S/C15H23NOS/c1-5-12(6-2)16-15(17)13-9-7-8-10-14(13)18-11(3)4/h7-12H,5-6H2,1-4H3,(H,16,17)
InChIKeyDLTRLEBDJTZTJC-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide (CID 17224632) is N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide is CCC(CC)NC(=O)c1ccccc1SC(C)C.
What is the InChIKey of N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide?
The InChIKey is DLTRLEBDJTZTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-5-12(6-2)16-15(17)13-9-7-8-10-14(13)18-11(3)4/h7-12H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide?
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide has a molecular weight of 265.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 17224632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).