N-pentan-3-yl-2-phenylsulfanylacetamide

C13H19NOS — CID 1122020

IUPACN-pentan-3-yl-2-phenylsulfanylacetamide
SMILESCCC(CC)NC(=O)CSc1ccccc1
InChIInChI=1S/C13H19NOS/c1-3-11(4-2)14-13(15)10-16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyZOPRPDCMQWRESC-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds6

About N-pentan-3-yl-2-phenylsulfanylacetamide

N-pentan-3-yl-2-phenylsulfanylacetamide (PubChem CID 1122020) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-pentan-3-yl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-phenylsulfanylacetamide
PubChem CID1122020
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-pentan-3-yl-2-phenylsulfanylacetamide
SMILESCCC(CC)NC(=O)CSc1ccccc1
InChIInChI=1S/C13H19NOS/c1-3-11(4-2)14-13(15)10-16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyZOPRPDCMQWRESC-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
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-phenylsulfanylacetamide?
The IUPAC name of N-pentan-3-yl-2-phenylsulfanylacetamide (CID 1122020) is N-pentan-3-yl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-pentan-3-yl-2-phenylsulfanylacetamide?
The canonical SMILES for N-pentan-3-yl-2-phenylsulfanylacetamide is CCC(CC)NC(=O)CSc1ccccc1.
What is the InChIKey of N-pentan-3-yl-2-phenylsulfanylacetamide?
The InChIKey is ZOPRPDCMQWRESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-11(4-2)14-13(15)10-16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15).
What are the key properties of N-pentan-3-yl-2-phenylsulfanylacetamide?
N-pentan-3-yl-2-phenylsulfanylacetamide has a molecular weight of 237.37 g/mol, XLogP of 3.08, 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-phenylsulfanylacetamide is sourced from PubChem (CID 1122020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).