N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C21H24N4O2S — CID 78900280

IUPACN-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nnc(SCC(=O)N(Cc3ccc(C)o3)C3CC3)n2C)c1
InChIInChI=1S/C21H24N4O2S/c1-14-5-4-6-16(11-14)20-22-23-21(24(20)3)28-13-19(26)25(17-8-9-17)12-18-10-7-15(2)27-18/h4-7,10-11,17H,8-9,12-13H2,1-3H3
InChIKeyRLWQJKNKRJNYNV-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.98
Rot. Bonds7

About N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 78900280) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID78900280
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nnc(SCC(=O)N(Cc3ccc(C)o3)C3CC3)n2C)c1
InChIInChI=1S/C21H24N4O2S/c1-14-5-4-6-16(11-14)20-22-23-21(24(20)3)28-13-19(26)25(17-8-9-17)12-18-10-7-15(2)27-18/h4-7,10-11,17H,8-9,12-13H2,1-3H3
InChIKeyRLWQJKNKRJNYNV-UHFFFAOYSA-N
XLogP3.98
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[(4-methylphenyl)methyl]-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112842655
N-(1,1-dioxothiolan-3-yl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 17452213
2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2519146
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 78900289
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6599965
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 112841937
N-(furan-2-ylmethyl)-N-methyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29461174
N-cyclohexyl-N-ethyl-2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4835788
N,N-dimethyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16518620
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
CID 7895560
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627014
1-(4-bromophenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1021740

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 78900280) is N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1cccc(-c2nnc(SCC(=O)N(Cc3ccc(C)o3)C3CC3)n2C)c1.
What is the InChIKey of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is RLWQJKNKRJNYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-5-4-6-16(11-14)20-22-23-21(24(20)3)28-13-19(26)25(17-8-9-17)12-18-10-7-15(2)27-18/h4-7,10-11,17H,8-9,12-13H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 78900280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).