N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

About N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 25362719) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name	N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID	25362719
Molecular Formula	C20H19ClN4O3S
Molecular Weight	430.92 g/mol
Exact Mass	430.09
IUPAC Name	N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILES	CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O
InChI	InChI=1S/C20H19ClN4O3S/c1-24(10-13-6-7-17(21)29-13)18(26)11-25-19(27)16(23-20(25)28)8-12-9-22-15-5-3-2-4-14(12)15/h2-7,9,16,22H,8,10-11H2,1H3,(H,23,28)/t16-/m1/s1
InChIKey	ZZZKMBVQEZAION-MRXNPFEDSA-N
XLogP	3.00
TPSA	85.51 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.92
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
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-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 25362719) is N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O.

What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The InChIKey is ZZZKMBVQEZAION-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-24(10-13-6-7-17(21)29-13)18(26)11-25-19(27)16(23-20(25)28)8-12-9-22-15-5-3-2-4-14(12)15/h2-7,9,16,22H,8,10-11H2,1H3,(H,23,28)/t16-/m1/s1.

What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 430.92 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 25362719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).