methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate

C17H25N3O5S — CID 55880907

IUPACmethyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C17H25N3O5S/c1-3-11-26(23,24)20-10-4-5-15(20)16(21)18-12-13-6-8-14(9-7-13)19-17(22)25-2/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLJOLDNFXCQNRIE-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.69
Rot. Bonds7

About methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate

methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate (PubChem CID 55880907) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
PubChem CID55880907
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Namemethyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C17H25N3O5S/c1-3-11-26(23,24)20-10-4-5-15(20)16(21)18-12-13-6-8-14(9-7-13)19-17(22)25-2/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLJOLDNFXCQNRIE-UHFFFAOYSA-N
XLogP1.69
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241350
methyl 2-[[2-[4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55880512
5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 129465976
N-(1,3-benzodioxol-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240294
N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966570
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903591
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
1-propylsulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 78865337
(2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide
CID 110306006
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate (CID 55880907) is methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate is CCCS(=O)(=O)N1CCCC1C(=O)NCc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate?
The InChIKey is LJOLDNFXCQNRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-3-11-26(23,24)20-10-4-5-15(20)16(21)18-12-13-6-8-14(9-7-13)19-17(22)25-2/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate?
methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate has a molecular weight of 383.47 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55880907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).