N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C17H22ClN3O3S — CID 9393702

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C17H22ClN3O3S/c1-19(10-12-6-7-13(18)25-12)14(22)11-21-15(23)17(20(2)16(21)24)8-4-3-5-9-17/h6-7H,3-5,8-11H2,1-2H3
InChIKeyOSHANOPTJSGDBC-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.96
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 9393702) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID9393702
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C17H22ClN3O3S/c1-19(10-12-6-7-13(18)25-12)14(22)11-21-15(23)17(20(2)16(21)24)8-4-3-5-9-17/h6-7H,3-5,8-11H2,1-2H3
InChIKeyOSHANOPTJSGDBC-UHFFFAOYSA-N
XLogP2.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.96
H-Bond Donors ≤ 50
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-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 9393702) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is OSHANOPTJSGDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c1-19(10-12-6-7-13(18)25-12)14(22)11-21-15(23)17(20(2)16(21)24)8-4-3-5-9-17/h6-7H,3-5,8-11H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 383.90 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 9393702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).