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

C24H30N4O4S — CID 122185700

IUPACN-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1
InChIInChI=1S/C24H30N4O4S/c1-3-13-28(14-4-2)33(31,32)19-11-9-17(10-12-19)24(30)27-22(23(25)29)15-18-16-26-21-8-6-5-7-20(18)21/h5-12,16,22,26H,3-4,13-15H2,1-2H3,(H2,25,29)(H,27,30)/t22-/m0/s1
InChIKeyLSZXXESWNFYYQR-QFIPXVFZSA-N
MW470.60 g/mol
LogP2.81
Rot. Bonds11

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

N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide (PubChem CID 122185700) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
PubChem CID122185700
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1
InChIInChI=1S/C24H30N4O4S/c1-3-13-28(14-4-2)33(31,32)19-11-9-17(10-12-19)24(30)27-22(23(25)29)15-18-16-26-21-8-6-5-7-20(18)21/h5-12,16,22,26H,3-4,13-15H2,1-2H3,(H2,25,29)(H,27,30)/t22-/m0/s1
InChIKeyLSZXXESWNFYYQR-QFIPXVFZSA-N
XLogP2.81
TPSA125.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide (CID 122185700) is N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1.
What is the InChIKey of N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
The InChIKey is LSZXXESWNFYYQR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-3-13-28(14-4-2)33(31,32)19-11-9-17(10-12-19)24(30)27-22(23(25)29)15-18-16-26-21-8-6-5-7-20(18)21/h5-12,16,22,26H,3-4,13-15H2,1-2H3,(H2,25,29)(H,27,30)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide?
N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 470.60 g/mol, XLogP of 2.81, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 122185700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).