N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide

C22H24N2O3S — CID 70101609

IUPACN-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide
SMILESCc1ccccc1C(=O)c1c(C)cc(Cc2ccc(NS(C)(=O)=O)cc2)n1C
InChIInChI=1S/C22H24N2O3S/c1-15-7-5-6-8-20(15)22(25)21-16(2)13-19(24(21)3)14-17-9-11-18(12-10-17)23-28(4,26)27/h5-13,23H,14H2,1-4H3
InChIKeyGRFPOUWYERLMGK-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.84
Rot. Bonds6

About N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide

N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide (PubChem CID 70101609) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide
PubChem CID70101609
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide
SMILESCc1ccccc1C(=O)c1c(C)cc(Cc2ccc(NS(C)(=O)=O)cc2)n1C
InChIInChI=1S/C22H24N2O3S/c1-15-7-5-6-8-20(15)22(25)21-16(2)13-19(24(21)3)14-17-9-11-18(12-10-17)23-28(4,26)27/h5-13,23H,14H2,1-4H3
InChIKeyGRFPOUWYERLMGK-UHFFFAOYSA-N
XLogP3.84
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]phenyl]-2-hydroxyethanesulfonamide
CID 70103781
N-[6-[[1,4-dimethyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]methyl]-3-pyridinyl]methanesulfonamide
CID 70100736
(5-ethyl-1,3-dimethylpyrrol-2-yl)-(2-methylphenyl)methanone;pentanoic acid
CID 70167528
N-[4-[[5-(2,4-dimethylbenzoyl)-1-methylpyrrol-2-yl]methyl]phenyl]-2-hydroxyethanesulfonamide
CID 70104608
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
CID 43629655
N-[4-[[1,4-dimethyl-5-[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]pyrrol-2-yl]methyl]phenyl]methanesulfonamide
CID 70102956
N-[3-[[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide
CID 70103642
methyl 5-(4-chlorobenzoyl)-2-[[4-(methanesulfonamido)phenyl]methyl]-1,4-dimethylpyrrole-3-carboxylate
CID 67574209
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[4-(2-methylphenyl)phenyl]methanesulfonamide
CID 59877138

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide (CID 70101609) is N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide is Cc1ccccc1C(=O)c1c(C)cc(Cc2ccc(NS(C)(=O)=O)cc2)n1C.
What is the InChIKey of N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is GRFPOUWYERLMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15-7-5-6-8-20(15)22(25)21-16(2)13-19(24(21)3)14-17-9-11-18(12-10-17)23-28(4,26)27/h5-13,23H,14H2,1-4H3.
What are the key properties of N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide?
N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 70101609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).