N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide

C24H32N6O3S — CID 26883787

IUPACN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C24H32N6O3S/c1-4-28(5-2)22-13-11-19(34(32,33)29-14-8-7-9-15-29)17-20(22)25-24(31)18-10-12-23-21(16-18)26-27-30(23)6-3/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,25,31)
InChIKeyOHHDSYJUVXUIEU-UHFFFAOYSA-N
MW484.63 g/mol
LogP3.72
Rot. Bonds8

About N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide

N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 26883787) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID26883787
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C24H32N6O3S/c1-4-28(5-2)22-13-11-19(34(32,33)29-14-8-7-9-15-29)17-20(22)25-24(31)18-10-12-23-21(16-18)26-27-30(23)6-3/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,25,31)
InChIKeyOHHDSYJUVXUIEU-UHFFFAOYSA-N
XLogP3.72
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide (CID 26883787) is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)nnn2CC.
What is the InChIKey of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is OHHDSYJUVXUIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-4-28(5-2)22-13-11-19(34(32,33)29-14-8-7-9-15-29)17-20(22)25-24(31)18-10-12-23-21(16-18)26-27-30(23)6-3/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,25,31).
What are the key properties of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide?
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 484.63 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 26883787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).