2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

About 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 40842948) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name	2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID	40842948
Molecular Formula	C23H25N7O3S
Molecular Weight	479.57 g/mol
Exact Mass	479.17
IUPAC Name	2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILES	Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1C
InChI	InChI=1S/C23H25N7O3S/c1-15-9-10-18(13-16(15)2)29-22(25-27-28-29)34-14-19(31)26-30-20(32)23(3,24-21(30)33)12-11-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,24,33)(H,26,31)/t23-/m0/s1
InChIKey	HIIBQAFOWCLFET-QHCPKHFHSA-N
XLogP	2.35
TPSA	122.11 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.57
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 40842948) is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The canonical SMILES for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1C.

What is the InChIKey of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

The InChIKey is HIIBQAFOWCLFET-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-15-9-10-18(13-16(15)2)29-22(25-27-28-29)34-14-19(31)26-30-20(32)23(3,24-21(30)33)12-11-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,24,33)(H,26,31)/t23-/m0/s1.

What are the key properties of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 479.57 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 40842948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).