N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide

C19H24N2O3S — CID 42582679

IUPACN-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide
SMILESCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C1CCCC1
InChIInChI=1S/C19H24N2O3S/c1-13-14(2)21(16-9-7-8-10-16)19(20-15(3)22)18(13)25(23,24)17-11-5-4-6-12-17/h4-6,11-12,16H,7-10H2,1-3H3,(H,20,22)
InChIKeyAQSTYPKWORIZEU-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.01
Rot. Bonds4

About N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide

N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide (PubChem CID 42582679) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide
PubChem CID42582679
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide
SMILESCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C1CCCC1
InChIInChI=1S/C19H24N2O3S/c1-13-14(2)21(16-9-7-8-10-16)19(20-15(3)22)18(13)25(23,24)17-11-5-4-6-12-17/h4-6,11-12,16H,7-10H2,1-3H3,(H,20,22)
InChIKeyAQSTYPKWORIZEU-UHFFFAOYSA-N
XLogP4.01
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide?
The IUPAC name of N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide (CID 42582679) is N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide.
What is the SMILES notation for N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide?
The canonical SMILES for N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide is CC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C1CCCC1.
What is the InChIKey of N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide?
The InChIKey is AQSTYPKWORIZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-14(2)21(16-9-7-8-10-16)19(20-15(3)22)18(13)25(23,24)17-11-5-4-6-12-17/h4-6,11-12,16H,7-10H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide?
N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide is sourced from PubChem (CID 42582679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).