2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

C23H26N6O4S — CID 646039

IUPAC2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C23H26N6O4S/c1-32-18-10-11-20(33-2)19(14-18)29-23(25-26-27-29)34-15-21(30)24-17-8-6-16(7-9-17)22(31)28-12-4-3-5-13-28/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,24,30)
InChIKeyXHMVHHQJKIBIQD-UHFFFAOYSA-N
MW482.57 g/mol
LogP3.04
Rot. Bonds8

About 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 646039) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID646039
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C23H26N6O4S/c1-32-18-10-11-20(33-2)19(14-18)29-23(25-26-27-29)34-15-21(30)24-17-8-6-16(7-9-17)22(31)28-12-4-3-5-13-28/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,24,30)
InChIKeyXHMVHHQJKIBIQD-UHFFFAOYSA-N
XLogP3.04
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (CID 646039) is 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is XHMVHHQJKIBIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-32-18-10-11-20(33-2)19(14-18)29-23(25-26-27-29)34-15-21(30)24-17-8-6-16(7-9-17)22(31)28-12-4-3-5-13-28/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,24,30).
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 482.57 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 646039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).