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

C23H25FN2O4S — CID 42534151

IUPACN-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(S(=O)(=O)c3ccc(F)cc3)c(C)c(C)n2C(C)C)cc1
InChIInChI=1S/C23H25FN2O4S/c1-14(2)26-16(4)15(3)21(31(28,29)20-12-8-18(24)9-13-20)22(26)25-23(27)17-6-10-19(30-5)11-7-17/h6-14H,1-5H3,(H,25,27)
InChIKeyZASRFXFZGRCCNE-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.92
Rot. Bonds6

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

N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide (PubChem CID 42534151) has the molecular formula C23H25FN2O4S and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide
PubChem CID42534151
Molecular FormulaC23H25FN2O4S
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC NameN-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(S(=O)(=O)c3ccc(F)cc3)c(C)c(C)n2C(C)C)cc1
InChIInChI=1S/C23H25FN2O4S/c1-14(2)26-16(4)15(3)21(31(28,29)20-12-8-18(24)9-13-20)22(26)25-23(27)17-6-10-19(30-5)11-7-17/h6-14H,1-5H3,(H,25,27)
InChIKeyZASRFXFZGRCCNE-UHFFFAOYSA-N
XLogP4.92
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide
CID 42535133
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide
CID 42535088
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide
CID 42570874
N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]butanamide
CID 42534788
N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide
CID 42568874
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8884375
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]oxolane-2-carboxamide
CID 42650191
N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
CID 42582064
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methoxybenzamide
CID 46835097

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide (CID 42534151) is N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(S(=O)(=O)c3ccc(F)cc3)c(C)c(C)n2C(C)C)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide?
The InChIKey is ZASRFXFZGRCCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4S/c1-14(2)26-16(4)15(3)21(31(28,29)20-12-8-18(24)9-13-20)22(26)25-23(27)17-6-10-19(30-5)11-7-17/h6-14H,1-5H3,(H,25,27).
What are the key properties of N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide?
N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide has a molecular weight of 444.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-4-methoxybenzamide is sourced from PubChem (CID 42534151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).