N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide

C17H18N2O2S — CID 575516

IUPACN-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NC1CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O2S/c20-16(18-14-7-8-14)10-22-11-17(21)19-15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9,14H,7-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyXKCIDBCNYNDSDO-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.79
Rot. Bonds6

About N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide

N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 575516) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID575516
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NC1CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O2S/c20-16(18-14-7-8-14)10-22-11-17(21)19-15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9,14H,7-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyXKCIDBCNYNDSDO-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide (CID 575516) is N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)NC1CC1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is XKCIDBCNYNDSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16(18-14-7-8-14)10-22-11-17(21)19-15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9,14H,7-8,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide?
N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 314.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 575516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).