N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide

C24H28N6O2S — CID 24580341

IUPACN,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nnc(CN2CCCCCC2=O)n1-c1cccnc1)c1ccccc1
InChIInChI=1S/C24H28N6O2S/c1-28(2)23(32)22(18-10-5-3-6-11-18)33-24-27-26-20(30(24)19-12-9-14-25-16-19)17-29-15-8-4-7-13-21(29)31/h3,5-6,9-12,14,16,22H,4,7-8,13,15,17H2,1-2H3
InChIKeyDSJWOGNAVGMGQP-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.49
Rot. Bonds7

About N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide

N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide (PubChem CID 24580341) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
PubChem CID24580341
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC NameN,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nnc(CN2CCCCCC2=O)n1-c1cccnc1)c1ccccc1
InChIInChI=1S/C24H28N6O2S/c1-28(2)23(32)22(18-10-5-3-6-11-18)33-24-27-26-20(30(24)19-12-9-14-25-16-19)17-29-15-8-4-7-13-21(29)31/h3,5-6,9-12,14,16,22H,4,7-8,13,15,17H2,1-2H3
InChIKeyDSJWOGNAVGMGQP-UHFFFAOYSA-N
XLogP3.49
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-N-methyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24580352
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41178013
1-[[5-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one
CID 24580362
1-[[5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one
CID 17480909
(2R)-2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41169915
(2R)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40659791
(2R)-N-cyclopropyl-2-phenyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 92536705
(2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 41193898
(2R)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 51574394
2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 24520390
2-[(1S)-1-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 136754972
(2S)-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 41189869

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide?
The IUPAC name of N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide (CID 24580341) is N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide?
The canonical SMILES for N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide is CN(C)C(=O)C(Sc1nnc(CN2CCCCCC2=O)n1-c1cccnc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide?
The InChIKey is DSJWOGNAVGMGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-28(2)23(32)22(18-10-5-3-6-11-18)33-24-27-26-20(30(24)19-12-9-14-25-16-19)17-29-15-8-4-7-13-21(29)31/h3,5-6,9-12,14,16,22H,4,7-8,13,15,17H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide?
N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide has a molecular weight of 464.60 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 24580341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).