N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

About N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2579530) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name	N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID	2579530
Molecular Formula	C19H24N4O3S
Molecular Weight	388.49 g/mol
Exact Mass	388.16
IUPAC Name	N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILES	CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1=O
InChI	InChI=1S/C19H24N4O3S/c1-10(2)6-14-18(25)23(19(26)21-14)9-16(24)22-17-13(8-20)12-5-4-11(3)7-15(12)27-17/h10-11,14H,4-7,9H2,1-3H3,(H,21,26)(H,22,24)/t11-,14+/m0/s1
InChIKey	WIOJBELUUQETMH-SMDDNHRTSA-N
XLogP	2.65
TPSA	102.30 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
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-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2579530) is N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1=O.

What is the InChIKey of N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is WIOJBELUUQETMH-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-10(2)6-14-18(25)23(19(26)21-14)9-16(24)22-17-13(8-20)12-5-4-11(3)7-15(12)27-17/h10-11,14H,4-7,9H2,1-3H3,(H,21,26)(H,22,24)/t11-,14+/m0/s1.

What are the key properties of N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2579530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).