N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide

C17H25N3O5S2 — CID 42929323

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H25N3O5S2/c1-2-11-26(22,23)20-10-4-7-16(20)17(21)18-14-5-3-6-15(12-14)27(24,25)19-13-8-9-13/h3,5-6,12-13,16,19H,2,4,7-11H2,1H3,(H,18,21)
InChIKeyGZOICVZYWZRCFC-UHFFFAOYSA-N
MW415.54 g/mol
LogP1.27
Rot. Bonds8

About N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide

N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 42929323) has the molecular formula C17H25N3O5S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID42929323
Molecular FormulaC17H25N3O5S2
Molecular Weight415.54 g/mol
Exact Mass415.12
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H25N3O5S2/c1-2-11-26(22,23)20-10-4-7-16(20)17(21)18-14-5-3-6-15(12-14)27(24,25)19-13-8-9-13/h3,5-6,12-13,16,19H,2,4,7-11H2,1H3,(H,18,21)
InChIKeyGZOICVZYWZRCFC-UHFFFAOYSA-N
XLogP1.27
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 56507308
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935
N-[3-(5-methyltetrazol-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55679425
N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240453
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55963352
N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903591

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 42929323) is N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is GZOICVZYWZRCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S2/c1-2-11-26(22,23)20-10-4-7-16(20)17(21)18-14-5-3-6-15(12-14)27(24,25)19-13-8-9-13/h3,5-6,12-13,16,19H,2,4,7-11H2,1H3,(H,18,21).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42929323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).