N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide

C24H29N5O4S2 — CID 3831876

IUPACN-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)c4cc5ccccc5n4C)CC3)C2)s1
InChIInChI=1S/C24H29N5O4S2/c1-16-22(34-23(25-16)26-17(2)30)35(32,33)29-13-10-24(15-29)8-11-28(12-9-24)21(31)20-14-18-6-4-5-7-19(18)27(20)3/h4-7,14H,8-13,15H2,1-3H3,(H,25,26,30)
InChIKeyHSKUGHVGCCGWJZ-UHFFFAOYSA-N
MW515.66 g/mol
LogP3.22
Rot. Bonds4

About N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 3831876) has the molecular formula C24H29N5O4S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID3831876
Molecular FormulaC24H29N5O4S2
Molecular Weight515.66 g/mol
Exact Mass515.17
IUPAC NameN-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)c4cc5ccccc5n4C)CC3)C2)s1
InChIInChI=1S/C24H29N5O4S2/c1-16-22(34-23(25-16)26-17(2)30)35(32,33)29-13-10-24(15-29)8-11-28(12-9-24)21(31)20-14-18-6-4-5-7-19(18)27(20)3/h4-7,14H,8-13,15H2,1-3H3,(H,25,26,30)
InChIKeyHSKUGHVGCCGWJZ-UHFFFAOYSA-N
XLogP3.22
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143527
N-methyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143529
N,N-dimethyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143530
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143531
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143533
N-(2-aminoethyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143532
N-(2-amino-2-oxoethyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143534
N-(3-amino-3-oxopropyl)-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143535
2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-N-propyl-1,3-thiazole-4-carboxamide
CID 44143537
[4-[2-[[(6S)-2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl]propylamino]ethyl]-1-piperazinyl]-1H-indol-2-yl-methanone
CID 60148494
[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 60165801
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 24882562

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide (CID 3831876) is N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)c4cc5ccccc5n4C)CC3)C2)s1.
What is the InChIKey of N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HSKUGHVGCCGWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S2/c1-16-22(34-23(25-16)26-17(2)30)35(32,33)29-13-10-24(15-29)8-11-28(12-9-24)21(31)20-14-18-6-4-5-7-19(18)27(20)3/h4-7,14H,8-13,15H2,1-3H3,(H,25,26,30).
What are the key properties of N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 515.66 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3831876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).