2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C22H29N3O4S — CID 2140069

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-4-29-18-9-11-19(12-10-18)30(27,28)23-21-8-6-5-7-20(21)22(26)25(3)17-13-15-24(2)16-14-17/h5-12,17,23H,4,13-16H2,1-3H3
InChIKeyWXGSCZIHQZFAEO-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.05
Rot. Bonds7

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 2140069) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID2140069
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-4-29-18-9-11-19(12-10-18)30(27,28)23-21-8-6-5-7-20(21)22(26)25(3)17-13-15-24(2)16-14-17/h5-12,17,23H,4,13-16H2,1-3H3
InChIKeyWXGSCZIHQZFAEO-UHFFFAOYSA-N
XLogP3.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 2140069) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)C2CCN(C)CC2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is WXGSCZIHQZFAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-4-29-18-9-11-19(12-10-18)30(27,28)23-21-8-6-5-7-20(21)22(26)25(3)17-13-15-24(2)16-14-17/h5-12,17,23H,4,13-16H2,1-3H3.
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 2140069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).