4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C19H26N4O3S — CID 30183451

IUPAC4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N4O3S/c1-14(2)23-18(9-10-20-23)21-19(24)16-8-7-15(3)17(13-16)27(25,26)22-11-5-4-6-12-22/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,21,24)
InChIKeyAAJUAYSYHIRUKH-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.20
Rot. Bonds5

About 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 30183451) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID30183451
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N4O3S/c1-14(2)23-18(9-10-20-23)21-19(24)16-8-7-15(3)17(13-16)27(25,26)22-11-5-4-6-12-22/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,21,24)
InChIKeyAAJUAYSYHIRUKH-UHFFFAOYSA-N
XLogP3.20
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56694675
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
4-methoxy-N-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25434050
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-[4-[(2R)-butan-2-yl]phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7935740
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid
CID 1316696

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 30183451) is 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccnn2C(C)C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is AAJUAYSYHIRUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14(2)23-18(9-10-20-23)21-19(24)16-8-7-15(3)17(13-16)27(25,26)22-11-5-4-6-12-22/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,21,24).
What are the key properties of 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-1-ylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 30183451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).