N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide

C20H27N5O5S — CID 70059225

IUPACN-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide
SMILESCC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCOCC1)n1cccn1
InChIInChI=1S/C20H27N5O5S/c1-16(19(21)26)25(24-9-5-8-22-24)20(27)18(14-17-6-3-2-4-7-17)15-31(28,29)23-10-12-30-13-11-23/h2-9,16,18H,10-15H2,1H3,(H2,21,26)
InChIKeyKANRFWMZDWPOLY-UHFFFAOYSA-N
MW449.53 g/mol
LogP-0.26
Rot. Bonds9

About N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide

N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide (PubChem CID 70059225) has the molecular formula C20H27N5O5S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide
PubChem CID70059225
Molecular FormulaC20H27N5O5S
Molecular Weight449.53 g/mol
Exact Mass449.17
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide
SMILESCC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCOCC1)n1cccn1
InChIInChI=1S/C20H27N5O5S/c1-16(19(21)26)25(24-9-5-8-22-24)20(27)18(14-17-6-3-2-4-7-17)15-31(28,29)23-10-12-30-13-11-23/h2-9,16,18H,10-15H2,1H3,(H2,21,26)
InChIKeyKANRFWMZDWPOLY-UHFFFAOYSA-N
XLogP-0.26
TPSA127.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide (CID 70059225) is N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide is CC(C(N)=O)N(C(=O)C(Cc1ccccc1)CS(=O)(=O)N1CCOCC1)n1cccn1.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide?
The InChIKey is KANRFWMZDWPOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S/c1-16(19(21)26)25(24-9-5-8-22-24)20(27)18(14-17-6-3-2-4-7-17)15-31(28,29)23-10-12-30-13-11-23/h2-9,16,18H,10-15H2,1H3,(H2,21,26).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide?
N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide has a molecular weight of 449.53 g/mol, XLogP of -0.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-2-benzyl-3-morpholin-4-ylsulfonyl-N-pyrazol-1-ylpropanamide is sourced from PubChem (CID 70059225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).