4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

C18H24ClN3O2S — CID 20919121

IUPAC4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(=O)N1C(C(=O)NCc2ccccc2Cl)CSC12CCN(C)CC2
InChIInChI=1S/C18H24ClN3O2S/c1-13(23)22-16(12-25-18(22)7-9-21(2)10-8-18)17(24)20-11-14-5-3-4-6-15(14)19/h3-6,16H,7-12H2,1-2H3,(H,20,24)
InChIKeyIEQKQNMEOPJWHK-UHFFFAOYSA-N
MW381.93 g/mol
LogP2.34
Rot. Bonds3

About 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 20919121) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID20919121
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Name4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC(=O)N1C(C(=O)NCc2ccccc2Cl)CSC12CCN(C)CC2
InChIInChI=1S/C18H24ClN3O2S/c1-13(23)22-16(12-25-18(22)7-9-21(2)10-8-18)17(24)20-11-14-5-3-4-6-15(14)19/h3-6,16H,7-12H2,1-2H3,(H,20,24)
InChIKeyIEQKQNMEOPJWHK-UHFFFAOYSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
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CID 44586596
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108506051
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 42641248
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide
CID 144912516
N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
CID 108897742
(3R,9bR)-N-[(2-chlorophenyl)methyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7732441

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 20919121) is 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CC(=O)N1C(C(=O)NCc2ccccc2Cl)CSC12CCN(C)CC2.
What is the InChIKey of 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is IEQKQNMEOPJWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S/c1-13(23)22-16(12-25-18(22)7-9-21(2)10-8-18)17(24)20-11-14-5-3-4-6-15(14)19/h3-6,16H,7-12H2,1-2H3,(H,20,24).
What are the key properties of 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 381.93 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 20919121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).