N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide

C24H23FN2O4S — CID 154448568

IUPACN-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide
SMILESCn1c(C(=O)Cc2ccc(NS(C)(=O)=O)cc2F)ccc1C(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C24H23FN2O4S/c1-27-21(23(28)13-18-9-10-19(14-20(18)25)26-32(2,30)31)11-12-22(27)24(29)17-7-5-16(6-8-17)15-3-4-15/h5-12,14-15,26H,3-4,13H2,1-2H3
InChIKeyQHUXYJCAPBDYBR-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.07
Rot. Bonds8

About N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide

N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide (PubChem CID 154448568) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide
PubChem CID154448568
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC NameN-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide
SMILESCn1c(C(=O)Cc2ccc(NS(C)(=O)=O)cc2F)ccc1C(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C24H23FN2O4S/c1-27-21(23(28)13-18-9-10-19(14-20(18)25)26-32(2,30)31)11-12-22(27)24(29)17-7-5-16(6-8-17)15-3-4-15/h5-12,14-15,26H,3-4,13H2,1-2H3
InChIKeyQHUXYJCAPBDYBR-UHFFFAOYSA-N
XLogP4.07
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide (CID 154448568) is N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide is Cn1c(C(=O)Cc2ccc(NS(C)(=O)=O)cc2F)ccc1C(=O)c1ccc(C2CC2)cc1.
What is the InChIKey of N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide?
The InChIKey is QHUXYJCAPBDYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-27-21(23(28)13-18-9-10-19(14-20(18)25)26-32(2,30)31)11-12-22(27)24(29)17-7-5-16(6-8-17)15-3-4-15/h5-12,14-15,26H,3-4,13H2,1-2H3.
What are the key properties of N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide?
N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide has a molecular weight of 454.52 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(4-cyclopropylbenzoyl)-1-methylpyrrol-2-yl]-2-oxoethyl]-3-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 154448568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).