2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C18H21N5O4S2 — CID 3184358

IUPAC2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H21N5O4S2/c1-3-23-17(13-6-8-14(9-7-13)22-29(2,25)26)20-21-18(23)28-12-16(24)19-11-15-5-4-10-27-15/h4-10,22H,3,11-12H2,1-2H3,(H,19,24)
InChIKeyGADQODIKJCFALE-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.34
Rot. Bonds9

About 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3184358) has the molecular formula C18H21N5O4S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3184358
Molecular FormulaC18H21N5O4S2
Molecular Weight435.53 g/mol
Exact Mass435.10
IUPAC Name2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H21N5O4S2/c1-3-23-17(13-6-8-14(9-7-13)22-29(2,25)26)20-21-18(23)28-12-16(24)19-11-15-5-4-10-27-15/h4-10,22H,3,11-12H2,1-2H3,(H,19,24)
InChIKeyGADQODIKJCFALE-UHFFFAOYSA-N
XLogP2.34
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[[4-ethyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 19733015
N-(furan-2-ylmethyl)-2-[[5-(furan-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 860651
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2652697
N-[4-[5-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide
CID 1173967
2-[[5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 19732215
N-(furan-2-ylmethyl)-2-[[5-(5-methylthiophen-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17371489
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 8838194
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2418297
N-benzyl-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1307316
2-[[4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 52509273
N-benzyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1071688
2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1157627

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 3184358) is 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GADQODIKJCFALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S2/c1-3-23-17(13-6-8-14(9-7-13)22-29(2,25)26)20-21-18(23)28-12-16(24)19-11-15-5-4-10-27-15/h4-10,22H,3,11-12H2,1-2H3,(H,19,24).
What are the key properties of 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 435.53 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3184358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).