N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide

C16H25N3O5S — CID 122185771

IUPACN-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(N)=O)cc1
InChIInChI=1S/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m0/s1
InChIKeyFLSYFGOXOUTERQ-AWEZNQCLSA-N
MW371.46 g/mol
LogP0.07
Rot. Bonds10

About N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide

N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide (PubChem CID 122185771) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
PubChem CID122185771
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(N)=O)cc1
InChIInChI=1S/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m0/s1
InChIKeyFLSYFGOXOUTERQ-AWEZNQCLSA-N
XLogP0.07
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide (CID 122185771) is N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(N)=O)cc1.
What is the InChIKey of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The InChIKey is FLSYFGOXOUTERQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 371.46 g/mol, XLogP of 0.07, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 122185771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).