N-carbamoyl-2-phenylsulfanylacetamide

C9H10N2O2S — CID 2470668

IUPACN-carbamoyl-2-phenylsulfanylacetamide
SMILESNC(=O)NC(=O)CSc1ccccc1
InChIInChI=1S/C9H10N2O2S/c10-9(13)11-8(12)6-14-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
InChIKeyDXWLBLJROYJRKC-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.97
Rot. Bonds3

About N-carbamoyl-2-phenylsulfanylacetamide

N-carbamoyl-2-phenylsulfanylacetamide (PubChem CID 2470668) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N-carbamoyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-phenylsulfanylacetamide
PubChem CID2470668
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN-carbamoyl-2-phenylsulfanylacetamide
SMILESNC(=O)NC(=O)CSc1ccccc1
InChIInChI=1S/C9H10N2O2S/c10-9(13)11-8(12)6-14-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
InChIKeyDXWLBLJROYJRKC-UHFFFAOYSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-phenylsulfanylacetamide?
The IUPAC name of N-carbamoyl-2-phenylsulfanylacetamide (CID 2470668) is N-carbamoyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-carbamoyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-carbamoyl-2-phenylsulfanylacetamide is NC(=O)NC(=O)CSc1ccccc1.
What is the InChIKey of N-carbamoyl-2-phenylsulfanylacetamide?
The InChIKey is DXWLBLJROYJRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c10-9(13)11-8(12)6-14-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13).
What are the key properties of N-carbamoyl-2-phenylsulfanylacetamide?
N-carbamoyl-2-phenylsulfanylacetamide has a molecular weight of 210.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2470668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).