N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide

C19H27N3O4S — CID 55819863

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H27N3O4S/c1-2-12-27(25,26)22-11-4-3-8-17(22)19(24)21-16-7-5-6-14(13-16)18(23)20-15-9-10-15/h5-7,13,15,17H,2-4,8-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyPZSZWSYPGUPLAH-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.11
Rot. Bonds7

About N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 55819863) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID55819863
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H27N3O4S/c1-2-12-27(25,26)22-11-4-3-8-17(22)19(24)21-16-7-5-6-14(13-16)18(23)20-15-9-10-15/h5-7,13,15,17H,2-4,8-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyPZSZWSYPGUPLAH-UHFFFAOYSA-N
XLogP2.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55893300
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 56507308
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491129
N-[2-(3-ethynylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55991190
N-[3-(5-methyltetrazol-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55679425

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide (CID 55819863) is N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is PZSZWSYPGUPLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-2-12-27(25,26)22-11-4-3-8-17(22)19(24)21-16-7-5-6-14(13-16)18(23)20-15-9-10-15/h5-7,13,15,17H,2-4,8-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55819863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).