N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide

C23H27N3O4S — CID 50816049

IUPACN-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C23H27N3O4S/c1-24-22(27)21-10-5-13-26(21)23(28)18-8-4-9-19(14-18)25-31(29,30)20-12-11-16-6-2-3-7-17(16)15-20/h4,8-9,11-12,14-15,21,25H,2-3,5-7,10,13H2,1H3,(H,24,27)
InChIKeyLLFZYGMETUAFOJ-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.72
Rot. Bonds5

About N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide

N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 50816049) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
PubChem CID50816049
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C23H27N3O4S/c1-24-22(27)21-10-5-13-26(21)23(28)18-8-4-9-19(14-18)25-31(29,30)20-12-11-16-6-2-3-7-17(16)15-20/h4,8-9,11-12,14-15,21,25H,2-3,5-7,10,13H2,1H3,(H,24,27)
InChIKeyLLFZYGMETUAFOJ-UHFFFAOYSA-N
XLogP2.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
(2S)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92728389
N-(3-methylbutyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 50831088
1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 50815951
N-butan-2-yl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46375219
(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331
1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815971
N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide
CID 51078226
N-butan-2-yl-1-[3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50816110
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370582

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide (CID 50816049) is N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is LLFZYGMETUAFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-24-22(27)21-10-5-13-26(21)23(28)18-8-4-9-19(14-18)25-31(29,30)20-12-11-16-6-2-3-7-17(16)15-20/h4,8-9,11-12,14-15,21,25H,2-3,5-7,10,13H2,1H3,(H,24,27).
What are the key properties of N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide?
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50816049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).