N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide

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

N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 41153116) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name	N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID	41153116
Molecular Formula	C24H26N4O4S
Molecular Weight	466.56 g/mol
Exact Mass	466.17
IUPAC Name	N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
SMILES	CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)s1
InChI	InChI=1S/C24H26N4O4S/c1-24(2,3)22(31)26-12-15-8-9-20(33-15)19(29)13-28-21(30)18(27-23(28)32)10-14-11-25-17-7-5-4-6-16(14)17/h4-9,11,18,25H,10,12-13H2,1-3H3,(H,26,31)(H,27,32)/t18-/m1/s1
InChIKey	KVJRSQNKOCQDKS-GOSISDBHSA-N
XLogP	3.24
TPSA	111.37 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide (CID 41153116) is N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide.

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

The canonical SMILES for N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)s1.

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

The InChIKey is KVJRSQNKOCQDKS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-24(2,3)22(31)26-12-15-8-9-20(33-15)19(29)13-28-21(30)18(27-23(28)32)10-14-11-25-17-7-5-4-6-16(14)17/h4-9,11,18,25H,10,12-13H2,1-3H3,(H,26,31)(H,27,32)/t18-/m1/s1.

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

N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 466.56 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 41153116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).