N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide

C20H21N3O3S — CID 70101479

IUPACN-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide
SMILESCc1cc(Cc2ccc(NS(C)(=O)=O)cn2)n(C)c1C(=O)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-14-11-18(12-16-9-10-17(13-21-16)22-27(3,25)26)23(2)19(14)20(24)15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3
InChIKeyNVUDYUJKBURPOH-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.92
Rot. Bonds6

About N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide

N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide (PubChem CID 70101479) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide
PubChem CID70101479
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide
SMILESCc1cc(Cc2ccc(NS(C)(=O)=O)cn2)n(C)c1C(=O)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-14-11-18(12-16-9-10-17(13-21-16)22-27(3,25)26)23(2)19(14)20(24)15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3
InChIKeyNVUDYUJKBURPOH-UHFFFAOYSA-N
XLogP2.92
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methanesulfonamide, N-(4-((1-(3-(4-pyridinyl)propyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride
CID 3087188
2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]-N-(2-phenylethyl)acetamide
CID 6620311
N-benzyl-2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]acetamide
CID 16011775
2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]-1-piperidino-1-ethanone
CID 20889313
N,N-dimethyl-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 1566157
1-Phenyl-2-(1-phenylpyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone
CID 3122371
2-Amino-3-(4-methylbenzoyl)indolizine-1-carboxamide
CID 7294593
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913660
N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913768
N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913772
N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913885

Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide (CID 70101479) is N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide is Cc1cc(Cc2ccc(NS(C)(=O)=O)cn2)n(C)c1C(=O)c1ccccc1.
What is the InChIKey of N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide?
The InChIKey is NVUDYUJKBURPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-11-18(12-16-9-10-17(13-21-16)22-27(3,25)26)23(2)19(14)20(24)15-7-5-4-6-8-15/h4-11,13,22H,12H2,1-3H3.
What are the key properties of N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide?
N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-benzoyl-1,4-dimethylpyrrol-2-yl)methyl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 70101479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).