8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

C24H29N3O2S — CID 4242323

IUPAC8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)NC(C(=O)NCCc2ccccc2)CS3)cc1
InChIInChI=1S/C24H29N3O2S/c1-18-7-9-20(10-8-18)23(29)27-15-12-24(13-16-27)26-21(17-30-24)22(28)25-14-11-19-5-3-2-4-6-19/h2-10,21,26H,11-17H2,1H3,(H,25,28)
InChIKeyFXMFUUYQVPWHPU-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.99
Rot. Bonds5

About 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 4242323) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID4242323
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)NC(C(=O)NCCc2ccccc2)CS3)cc1
InChIInChI=1S/C24H29N3O2S/c1-18-7-9-20(10-8-18)23(29)27-15-12-24(13-16-27)26-21(17-30-24)22(28)25-14-11-19-5-3-2-4-6-19/h2-10,21,26H,11-17H2,1H3,(H,25,28)
InChIKeyFXMFUUYQVPWHPU-UHFFFAOYSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2S)-butan-2-yl]-8-(4-pentylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 7339020
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
(3R,4R)-1-[4-[(3R,4R)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carbonyl]benzoyl]-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 145434363
8-(2,4-dichlorobenzoyl)-N-(2-methylpropyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42775796
ethyl 8-benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
CID 12900626
(3S)-N-[(2R)-butan-2-yl]-8-(3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 7301953
(2S)-4-benzyl-8-(4-methylbenzoyl)-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93146333
(3S,4S)-3-N-benzhydryl-1-[4-[4-[(3R,4R)-3-(benzhydrylcarbamoyl)-4-(2-phenylethylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]benzoyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 24860336
(2S)-2-benzyl-4-[(4-fluorophenyl)methyl]-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93143579
N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110667340
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 4242323) is 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is Cc1ccc(C(=O)N2CCC3(CC2)NC(C(=O)NCCc2ccccc2)CS3)cc1.
What is the InChIKey of 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is FXMFUUYQVPWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-18-7-9-20(10-8-18)23(29)27-15-12-24(13-16-27)26-21(17-30-24)22(28)25-14-11-19-5-3-2-4-6-19/h2-10,21,26H,11-17H2,1H3,(H,25,28).
What are the key properties of 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 4242323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).