N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C22H25N5O3S — CID 51481266

IUPACN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C22H25N5O3S/c1-16-10-11-20(29-2)19(13-16)27-22(23-24-25-27)31-15-21(28)26(14-18-9-6-12-30-18)17-7-4-3-5-8-17/h6-7,9-13H,3-5,8,14-15H2,1-2H3
InChIKeyHCOOSVXIDSBHGM-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.15
Rot. Bonds8

About N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 51481266) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID51481266
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C22H25N5O3S/c1-16-10-11-20(29-2)19(13-16)27-22(23-24-25-27)31-15-21(28)26(14-18-9-6-12-30-18)17-7-4-3-5-8-17/h6-7,9-13H,3-5,8,14-15H2,1-2H3
InChIKeyHCOOSVXIDSBHGM-UHFFFAOYSA-N
XLogP4.15
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide 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-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 17454394
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 37285451
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60561758
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55378785
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 7628963
N-(cyclohexen-1-yl)-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 37060492
N-(2-cyanoethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 2608994
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41488663
N-butyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 8682840
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 55379270
1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 2595136
1-(2,5-dimethoxyphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7628851

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 51481266) is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(C)cc1-n1nnnc1SCC(=O)N(Cc1ccco1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is HCOOSVXIDSBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-16-10-11-20(29-2)19(13-16)27-22(23-24-25-27)31-15-21(28)26(14-18-9-6-12-30-18)17-7-4-3-5-8-17/h6-7,9-13H,3-5,8,14-15H2,1-2H3.
What are the key properties of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 439.54 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 51481266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).