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

C16H25N3O4S — CID 122185697

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1
InChIInChI=1S/C16H25N3O4S/c1-4-10-19(11-5-2)24(22,23)14-8-6-13(7-9-14)16(21)18-12(3)15(17)20/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,20)(H,18,21)/t12-/m0/s1
InChIKeyQRBLJJKWRJOQJZ-LBPRGKRZSA-N
MW355.46 g/mol
LogP1.10
Rot. Bonds9

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

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide (PubChem CID 122185697) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
PubChem CID122185697
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1
InChIInChI=1S/C16H25N3O4S/c1-4-10-19(11-5-2)24(22,23)14-8-6-13(7-9-14)16(21)18-12(3)15(17)20/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,20)(H,18,21)/t12-/m0/s1
InChIKeyQRBLJJKWRJOQJZ-LBPRGKRZSA-N
XLogP1.10
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide (CID 122185697) is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The InChIKey is QRBLJJKWRJOQJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-4-10-19(11-5-2)24(22,23)14-8-6-13(7-9-14)16(21)18-12(3)15(17)20/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,20)(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 355.46 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 122185697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).