N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide

C15H14ClN3O3S — CID 95221460

IUPACN-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
SMILESCN(Cc1sc2ccccc2c1Cl)C(=O)C[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C15H14ClN3O3S/c1-19(12(20)6-9-14(21)18-15(22)17-9)7-11-13(16)8-4-2-3-5-10(8)23-11/h2-5,9H,6-7H2,1H3,(H2,17,18,21,22)/t9-/m0/s1
InChIKeyLEKIOWCQLDMJIH-VIFPVBQESA-N
MW351.82 g/mol
LogP2.11
Rot. Bonds4

About N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide (PubChem CID 95221460) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
PubChem CID95221460
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
SMILESCN(Cc1sc2ccccc2c1Cl)C(=O)C[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C15H14ClN3O3S/c1-19(12(20)6-9-14(21)18-15(22)17-9)7-11-13(16)8-4-2-3-5-10(8)23-11/h2-5,9H,6-7H2,1H3,(H2,17,18,21,22)/t9-/m0/s1
InChIKeyLEKIOWCQLDMJIH-VIFPVBQESA-N
XLogP2.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide (CID 95221460) is N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide is CN(Cc1sc2ccccc2c1Cl)C(=O)C[C@@H]1NC(=O)NC1=O.
What is the InChIKey of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
The InChIKey is LEKIOWCQLDMJIH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-19(12(20)6-9-14(21)18-15(22)17-9)7-11-13(16)8-4-2-3-5-10(8)23-11/h2-5,9H,6-7H2,1H3,(H2,17,18,21,22)/t9-/m0/s1.
What are the key properties of N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide?
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide has a molecular weight of 351.82 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 95221460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).