N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide

C18H20N6O4S2 — CID 46479604

IUPACN-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCc2ccc(S(=O)(=O)N3CCCC3)o2)c1
InChIInChI=1S/C18H20N6O4S2/c1-13(25)19-14-5-4-6-15(11-14)24-18(20-21-22-24)29-12-16-7-8-17(28-16)30(26,27)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,25)
InChIKeyCMGIXLZRSUOUCG-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.29
Rot. Bonds7

About N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide

N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide (PubChem CID 46479604) has the molecular formula C18H20N6O4S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
PubChem CID46479604
Molecular FormulaC18H20N6O4S2
Molecular Weight448.53 g/mol
Exact Mass448.10
IUPAC NameN-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCc2ccc(S(=O)(=O)N3CCCC3)o2)c1
InChIInChI=1S/C18H20N6O4S2/c1-13(25)19-14-5-4-6-15(11-14)24-18(20-21-22-24)29-12-16-7-8-17(28-16)30(26,27)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,25)
InChIKeyCMGIXLZRSUOUCG-UHFFFAOYSA-N
XLogP2.29
TPSA123.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55608919
N-[3-[5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572672
N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
CID 46572586
N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731
N-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 39074837
N-[3-[5-(2-phenoxyethylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 46572679
N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572642
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-heptan-2-ylacetamide
CID 55572394
N-[3-[5-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 30821832
3-[5-[2-(benzenesulfonyl)ethylsulfanyl]tetrazol-1-yl]-N-prop-1-en-2-ylaniline
CID 18344480
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55571943
N-[3-[5-[2-(2-bromo-4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572571

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide (CID 46479604) is N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nnnc2SCc2ccc(S(=O)(=O)N3CCCC3)o2)c1.
What is the InChIKey of N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The InChIKey is CMGIXLZRSUOUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S2/c1-13(25)19-14-5-4-6-15(11-14)24-18(20-21-22-24)29-12-16-7-8-17(28-16)30(26,27)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,25).
What are the key properties of N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide has a molecular weight of 448.53 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 46479604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).