tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate

C21H33N3O6S — CID 55972215

IUPACtert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H33N3O6S/c1-6-13-31(27,28)24-12-8-7-9-17(24)19(25)22-15-10-11-18(29-5)16(14-15)23-20(26)30-21(2,3)4/h10-11,14,17H,6-9,12-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyUPNWJJGZNCXNJA-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.58
Rot. Bonds7

About tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate

tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate (PubChem CID 55972215) has the molecular formula C21H33N3O6S and a molecular weight of 455.58 g/mol. Its IUPAC name is tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate
PubChem CID55972215
Molecular FormulaC21H33N3O6S
Molecular Weight455.58 g/mol
Exact Mass455.21
IUPAC Nametert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H33N3O6S/c1-6-13-31(27,28)24-12-8-7-9-17(24)19(25)22-15-10-11-18(29-5)16(14-15)23-20(26)30-21(2,3)4/h10-11,14,17H,6-9,12-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyUPNWJJGZNCXNJA-UHFFFAOYSA-N
XLogP3.58
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[5-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-2-methoxyphenyl]carbamate
CID 55654774
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55817715
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491129
(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
CID 55880907
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935
methyl 2-[[2-[4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55880512

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate (CID 55972215) is tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate is CCCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate?
The InChIKey is UPNWJJGZNCXNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O6S/c1-6-13-31(27,28)24-12-8-7-9-17(24)19(25)22-15-10-11-18(29-5)16(14-15)23-20(26)30-21(2,3)4/h10-11,14,17H,6-9,12-13H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate?
tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate has a molecular weight of 455.58 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methoxy-5-[(1-propylsulfonylpiperidine-2-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 55972215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).