N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide

C21H23NOS — CID 10449745

IUPACN-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccc1)C1CCCC=C1c1ccccc1
InChIInChI=1S/C21H23NOS/c1-22(21(23)16-24-18-12-6-3-7-13-18)20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-7,10-14,20H,8-9,15-16H2,1H3
InChIKeyUJWMNVBHGZABCM-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.87
Rot. Bonds5

About N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide

N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide (PubChem CID 10449745) has the molecular formula C21H23NOS and a molecular weight of 337.49 g/mol. Its IUPAC name is N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide
PubChem CID10449745
Molecular FormulaC21H23NOS
Molecular Weight337.49 g/mol
Exact Mass337.15
IUPAC NameN-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccc1)C1CCCC=C1c1ccccc1
InChIInChI=1S/C21H23NOS/c1-22(21(23)16-24-18-12-6-3-7-13-18)20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-7,10-14,20H,8-9,15-16H2,1H3
InChIKeyUJWMNVBHGZABCM-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide (CID 10449745) is N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide is CN(C(=O)CSc1ccccc1)C1CCCC=C1c1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide?
The InChIKey is UJWMNVBHGZABCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NOS/c1-22(21(23)16-24-18-12-6-3-7-13-18)20-15-9-8-14-19(20)17-10-4-2-5-11-17/h2-7,10-14,20H,8-9,15-16H2,1H3.
What are the key properties of N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide?
N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide has a molecular weight of 337.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylcyclohex-2-en-1-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 10449745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).