N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide

About N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide

N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (PubChem CID 26526321) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound Name	N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
PubChem CID	26526321
Molecular Formula	C21H25N3O3S2
Molecular Weight	431.58 g/mol
Exact Mass	431.13
IUPAC Name	N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
SMILES	CCNC(=O)C[C@H]1C(=O)N(Cc2cccs2)C(=S)N1CCc1ccc(OC)cc1
InChI	InChI=1S/C21H25N3O3S2/c1-3-22-19(25)13-18-20(26)24(14-17-5-4-12-29-17)21(28)23(18)11-10-15-6-8-16(27-2)9-7-15/h4-9,12,18H,3,10-11,13-14H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKey	UIMWVPJXJTUJOK-SFHVURJKSA-N
XLogP	2.82
TPSA	61.88 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?

The IUPAC name of N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (CID 26526321) is N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.

What is the SMILES notation for N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?

The canonical SMILES for N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is CCNC(=O)C[C@H]1C(=O)N(Cc2cccs2)C(=S)N1CCc1ccc(OC)cc1.

What is the InChIKey of N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?

The InChIKey is UIMWVPJXJTUJOK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c1-3-22-19(25)13-18-20(26)24(14-17-5-4-12-29-17)21(28)23(18)11-10-15-6-8-16(27-2)9-7-15/h4-9,12,18H,3,10-11,13-14H2,1-2H3,(H,22,25)/t18-/m0/s1.

What are the key properties of N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?

N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide has a molecular weight of 431.58 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 26526321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).