N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C23H27N3O3S — CID 4552754

IUPACN-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1cccc(C(=O)N2CCSC23CCN(C(=O)NCc2ccccc2)CC3)c1
InChIInChI=1S/C23H27N3O3S/c1-29-20-9-5-8-19(16-20)21(27)26-14-15-30-23(26)10-12-25(13-11-23)22(28)24-17-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,24,28)
InChIKeyCRHBLTBPVYYTLA-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.59
Rot. Bonds4

About N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 4552754) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID4552754
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1cccc(C(=O)N2CCSC23CCN(C(=O)NCc2ccccc2)CC3)c1
InChIInChI=1S/C23H27N3O3S/c1-29-20-9-5-8-19(16-20)21(27)26-14-15-30-23(26)10-12-25(13-11-23)22(28)24-17-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,24,28)
InChIKeyCRHBLTBPVYYTLA-UHFFFAOYSA-N
XLogP3.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-[8-(naphthalene-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 4004562
1-[8-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylpropan-1-one
CID 3896278
cyclopropyl-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3986308
1-[4-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 4619002
(4-tert-butylphenyl)-[4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 4545050
1-[4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 3315052
(3-chlorophenyl)-[8-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
CID 3529522
[8-(2,4-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone
CID 4590316
[4-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-naphthalen-2-ylmethanone
CID 4024837
ethyl 2-[[4-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 3879520
[8-(2-chloro-4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-(3-methoxyphenyl)methanone
CID 42773603
1-[8-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-2-phenoxyethanone
CID 3568623

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 4552754) is N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is COc1cccc(C(=O)N2CCSC23CCN(C(=O)NCc2ccccc2)CC3)c1.
What is the InChIKey of N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is CRHBLTBPVYYTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-29-20-9-5-8-19(16-20)21(27)26-14-15-30-23(26)10-12-25(13-11-23)22(28)24-17-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3,(H,24,28).
What are the key properties of N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 4552754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).