8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide

C26H33N5O2S — CID 17138970

IUPAC8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide
SMILESCCC(C)(C)C1CCC2(CC1)SC(NC(=O)Nc1ccccc1)=NN2C(=O)Nc1ccccc1
InChIInChI=1S/C26H33N5O2S/c1-4-25(2,3)19-15-17-26(18-16-19)31(24(33)28-21-13-9-6-10-14-21)30-23(34-26)29-22(32)27-20-11-7-5-8-12-20/h5-14,19H,4,15-18H2,1-3H3,(H,28,33)(H2,27,29,30,32)
InChIKeyXBUIZXYOEITBKQ-UHFFFAOYSA-N
MW479.65 g/mol
LogP6.68
Rot. Bonds4

About 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide

8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide (PubChem CID 17138970) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide.

Molecular Properties

Compound Name8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide
PubChem CID17138970
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC Name8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide
SMILESCCC(C)(C)C1CCC2(CC1)SC(NC(=O)Nc1ccccc1)=NN2C(=O)Nc1ccccc1
InChIInChI=1S/C26H33N5O2S/c1-4-25(2,3)19-15-17-26(18-16-19)31(24(33)28-21-13-9-6-10-14-21)30-23(34-26)29-22(32)27-20-11-7-5-8-12-20/h5-14,19H,4,15-18H2,1-3H3,(H,28,33)(H2,27,29,30,32)
InChIKeyXBUIZXYOEITBKQ-UHFFFAOYSA-N
XLogP6.68
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.65
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol
CID 63428039
1-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 31732135
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-(anilinomethyl)-4-propylcyclohexan-1-ol
CID 114999848
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzoic acid
CID 43322139
4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol
CID 55078560
3-ethyl-4-hydroxy-N-phenylpiperidine-1-carboxamide
CID 114510061

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide?
The IUPAC name of 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide (CID 17138970) is 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide.
What is the SMILES notation for 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide?
The canonical SMILES for 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide is CCC(C)(C)C1CCC2(CC1)SC(NC(=O)Nc1ccccc1)=NN2C(=O)Nc1ccccc1.
What is the InChIKey of 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide?
The InChIKey is XBUIZXYOEITBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2S/c1-4-25(2,3)19-15-17-26(18-16-19)31(24(33)28-21-13-9-6-10-14-21)30-23(34-26)29-22(32)27-20-11-7-5-8-12-20/h5-14,19H,4,15-18H2,1-3H3,(H,28,33)(H2,27,29,30,32).
What are the key properties of 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide?
8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide has a molecular weight of 479.65 g/mol, XLogP of 6.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylbutan-2-yl)-N-phenyl-2-(phenylcarbamoylamino)-1-thia-3,4-diazaspiro[4.5]dec-2-ene-4-carboxamide is sourced from PubChem (CID 17138970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).