2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C20H24N2O3S — CID 100709394

IUPAC2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-14-12-16(3)19(13-15(14)2)20(23)21-17-6-8-18(9-7-17)26(24,25)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyUKEINNSVUYXWPG-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.65
Rot. Bonds4

About 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 100709394) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID100709394
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-14-12-16(3)19(13-15(14)2)20(23)21-17-6-8-18(9-7-17)26(24,25)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyUKEINNSVUYXWPG-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 100709394) is 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is UKEINNSVUYXWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-12-16(3)19(13-15(14)2)20(23)21-17-6-8-18(9-7-17)26(24,25)22-10-4-5-11-22/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23).
What are the key properties of 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 100709394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).