N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide

C20H20N2O3S — CID 132916835

IUPACN-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide
SMILESCC(=O)c1c(C)[nH]c(N(c2ccccc2)S(C)(=O)=O)c1-c1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-14-18(15(2)23)19(16-10-6-4-7-11-16)20(21-14)22(26(3,24)25)17-12-8-5-9-13-17/h4-13,21H,1-3H3
InChIKeyRINNMKZDRBYOQG-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.29
Rot. Bonds5

About N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide

N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide (PubChem CID 132916835) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide
PubChem CID132916835
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide
SMILESCC(=O)c1c(C)[nH]c(N(c2ccccc2)S(C)(=O)=O)c1-c1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-14-18(15(2)23)19(16-10-6-4-7-11-16)20(21-14)22(26(3,24)25)17-12-8-5-9-13-17/h4-13,21H,1-3H3
InChIKeyRINNMKZDRBYOQG-UHFFFAOYSA-N
XLogP4.29
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzoyl-2-[3-(methylsulfanyl)propyl]-5-phenyl-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137226418
6-Benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136951107
N-[3-(2-amino-5-cyano-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide
CID 137100785
6-Benzoyl-2-pentyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137226373
6-Benzoyl-2-hexyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137226386
6-Benzoyl-2-heptyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137226387
6-Benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137226398
1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone
CID 880528
N-(6-amino-2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-14-yl)methanesulfonamide
CID 53310117
1-(2-amino-5-benzoyl-4-phenyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-one
CID 56588184
N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide
CID 747773
N-(3-benzoyl-5-phenyl-1H-pyrrol-2-yl)benzamide
CID 1224765

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide?
The IUPAC name of N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide (CID 132916835) is N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide.
What is the SMILES notation for N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide?
The canonical SMILES for N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide is CC(=O)c1c(C)[nH]c(N(c2ccccc2)S(C)(=O)=O)c1-c1ccccc1.
What is the InChIKey of N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide?
The InChIKey is RINNMKZDRBYOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-18(15(2)23)19(16-10-6-4-7-11-16)20(21-14)22(26(3,24)25)17-12-8-5-9-13-17/h4-13,21H,1-3H3.
What are the key properties of N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide?
N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)-N-phenylmethanesulfonamide is sourced from PubChem (CID 132916835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).