N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide

C17H21FN2O3S — CID 42569351

IUPACN-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide
SMILESCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1C(C)C
InChIInChI=1S/C17H21FN2O3S/c1-10(2)20-12(4)11(3)16(17(20)19-13(5)21)24(22,23)15-8-6-14(18)7-9-15/h6-10H,1-5H3,(H,19,21)
InChIKeyFOURCQWNKYRTFH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.62
Rot. Bonds4

About N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide

N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide (PubChem CID 42569351) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide
PubChem CID42569351
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC NameN-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide
SMILESCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1C(C)C
InChIInChI=1S/C17H21FN2O3S/c1-10(2)20-12(4)11(3)16(17(20)19-13(5)21)24(22,23)15-8-6-14(18)7-9-15/h6-10H,1-5H3,(H,19,21)
InChIKeyFOURCQWNKYRTFH-UHFFFAOYSA-N
XLogP3.62
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide (CID 42569351) is N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide is CC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1C(C)C.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide?
The InChIKey is FOURCQWNKYRTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c1-10(2)20-12(4)11(3)16(17(20)19-13(5)21)24(22,23)15-8-6-14(18)7-9-15/h6-10H,1-5H3,(H,19,21).
What are the key properties of N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide?
N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide is sourced from PubChem (CID 42569351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).