1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide

C19H23N3O4S2 — CID 55515725

IUPAC1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H23N3O4S2/c1-2-12-28(25,26)22-10-4-8-16(22)18(23)20-14-6-3-7-15(13-14)21-19(24)17-9-5-11-27-17/h3,5-7,9,11,13,16H,2,4,8,10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyKJDPAUZCINMTDQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.14
Rot. Bonds7

About 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide

1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide (PubChem CID 55515725) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
PubChem CID55515725
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H23N3O4S2/c1-2-12-28(25,26)22-10-4-8-16(22)18(23)20-14-6-3-7-15(13-14)21-19(24)17-9-5-11-27-17/h3,5-7,9,11,13,16H,2,4,8,10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyKJDPAUZCINMTDQ-UHFFFAOYSA-N
XLogP3.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.14
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-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 56507308
N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903591
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
N-[3-(5-methyltetrazol-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55679425
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935
N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240453
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
1-methylsulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 46419731

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide (CID 55515725) is 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is KJDPAUZCINMTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-2-12-28(25,26)22-10-4-8-16(22)18(23)20-14-6-3-7-15(13-14)21-19(24)17-9-5-11-27-17/h3,5-7,9,11,13,16H,2,4,8,10,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide?
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55515725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).