N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide

About N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide

N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide (PubChem CID 7772570) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide.

Molecular Properties

Compound Name	N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
PubChem CID	7772570
Molecular Formula	C19H25N3O3S
Molecular Weight	375.49 g/mol
Exact Mass	375.16
IUPAC Name	N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
SMILES	CN(C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)C1CCCCC1
InChI	InChI=1S/C19H25N3O3S/c1-21(13-6-3-2-4-7-13)16(23)12-22-17(24)19(20-18(22)25)10-5-8-15-14(19)9-11-26-15/h9,11,13H,2-8,10,12H2,1H3,(H,20,25)/t19-/m0/s1
InChIKey	RKXXAOKAMRLVSS-IBGZPJMESA-N
XLogP	2.62
TPSA	69.72 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.49
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide?

The IUPAC name of N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide (CID 7772570) is N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide.

What is the SMILES notation for N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide?

The canonical SMILES for N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide is CN(C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide?

The InChIKey is RKXXAOKAMRLVSS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-21(13-6-3-2-4-7-13)16(23)12-22-17(24)19(20-18(22)25)10-5-8-15-14(19)9-11-26-15/h9,11,13H,2-8,10,12H2,1H3,(H,20,25)/t19-/m0/s1.

What are the key properties of N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide?

N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide has a molecular weight of 375.49 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide is sourced from PubChem (CID 7772570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).