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

C18H19N3O3S2 — CID 3773843

IUPACN-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2cccs2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-20-17(23)15(21(18(20)25)11-14-4-3-9-26-14)10-16(22)19-12-5-7-13(24-2)8-6-12/h3-9,15H,10-11H2,1-2H3,(H,19,22)
InChIKeyNCKUZXSLTSSFKJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.71
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (PubChem CID 3773843) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
PubChem CID3773843
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2cccs2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-20-17(23)15(21(18(20)25)11-14-4-3-9-26-14)10-16(22)19-12-5-7-13(24-2)8-6-12/h3-9,15H,10-11H2,1-2H3,(H,19,22)
InChIKeyNCKUZXSLTSSFKJ-UHFFFAOYSA-N
XLogP2.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine-1,2-dicarboxylic acid 1-[(2-methoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219706
N-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598535
1-(4-methoxyphenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 6493197
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
1-(4-Methoxyphenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661792
3-(4-Ethoxyphenyl)-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2180088
Methyl [3-(4-methoxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2187911
2-{1-(4-methoxyphenyl)-5-oxo-3-[2-(thiophen-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}-N-phenylacetamide
CID 2962752
2-[3-isopropyl-5-oxo-1-(2-thienylmethyl)-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
CID 2982336
1-(4-Ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
CID 2997067
Pyrrolidine-1,2-dicarboxylic acid 1-[(2-ethoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3230263
N'-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(thien-2-ylmethyl)thiourea
CID 4247047

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (CID 3773843) is N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is COc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The InChIKey is NCKUZXSLTSSFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-20-17(23)15(21(18(20)25)11-14-4-3-9-26-14)10-16(22)19-12-5-7-13(24-2)8-6-12/h3-9,15H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 3773843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).