N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide

C19H23N3O5S — CID 164623293

IUPACN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C19H23N3O5S/c1-12(2)10-17(20)19(25)22-28(26,27)16-5-3-4-14(11-16)21-18(24)13-6-8-15(23)9-7-13/h3-9,11-12,17,23H,10,20H2,1-2H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyXZIUXJRZPXZWFB-KRWDZBQOSA-N
MW405.48 g/mol
LogP1.82
Rot. Bonds7

About N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide (PubChem CID 164623293) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide
PubChem CID164623293
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C19H23N3O5S/c1-12(2)10-17(20)19(25)22-28(26,27)16-5-3-4-14(11-16)21-18(24)13-6-8-15(23)9-7-13/h3-9,11-12,17,23H,10,20H2,1-2H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyXZIUXJRZPXZWFB-KRWDZBQOSA-N
XLogP1.82
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-Hydroxy-phenyl)-3-(3-hydroxy-phenylsulfamoyl)-benzamide
CID 1069242
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
6-Methoxy-2-[4-(4-methoxy-benzoylamino)-benzenesulfonylamino]-hex-4-ynoic acid
CID 10623250
N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
N-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 3614029
(2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 11761293
4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]benzamide
CID 15945306
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide
CID 164608922
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-butoxybenzamide
CID 164612053
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 164613275
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide
CID 164614036
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide
CID 164621788

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide?
The IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide (CID 164623293) is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide is CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(NC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide?
The InChIKey is XZIUXJRZPXZWFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-12(2)10-17(20)19(25)22-28(26,27)16-5-3-4-14(11-16)21-18(24)13-6-8-15(23)9-7-13/h3-9,11-12,17,23H,10,20H2,1-2H3,(H,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide?
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide has a molecular weight of 405.48 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-hydroxybenzamide is sourced from PubChem (CID 164623293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).