3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide

C22H25N3O4S — CID 29457912

IUPAC3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C22H25N3O4S/c1-16(2)29-21-10-9-19(30(27,28)25-11-4-3-5-12-25)14-20(21)24-22(26)18-8-6-7-17(13-18)15-23/h6-10,13-14,16H,3-5,11-12H2,1-2H3,(H,24,26)
InChIKeyHRCZNPLKCBFNIB-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.77
Rot. Bonds6

About 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide

3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide (PubChem CID 29457912) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
PubChem CID29457912
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C22H25N3O4S/c1-16(2)29-21-10-9-19(30(27,28)25-11-4-3-5-12-25)14-20(21)24-22(26)18-8-6-7-17(13-18)15-23/h6-10,13-14,16H,3-5,11-12H2,1-2H3,(H,24,26)
InChIKeyHRCZNPLKCBFNIB-UHFFFAOYSA-N
XLogP3.77
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide 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

3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 40602464
2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 16552159
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 5110890
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
CID 38999846
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265454
5-bromo-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265446
2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 43077603
methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate
CID 30748288
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide (CID 29457912) is 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide?
The InChIKey is HRCZNPLKCBFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-16(2)29-21-10-9-19(30(27,28)25-11-4-3-5-12-25)14-20(21)24-22(26)18-8-6-7-17(13-18)15-23/h6-10,13-14,16H,3-5,11-12H2,1-2H3,(H,24,26).
What are the key properties of 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide?
3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide has a molecular weight of 427.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 29457912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).