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

C26H29N3O5S — CID 164621788

IUPACN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O5S/c1-18(2)15-24(27)26(31)29-35(32,33)23-10-6-9-21(16-23)28-25(30)20-11-13-22(14-12-20)34-17-19-7-4-3-5-8-19/h3-14,16,18,24H,15,17,27H2,1-2H3,(H,28,30)(H,29,31)/t24-/m0/s1
InChIKeyNUMUTKBHQCXYOJ-DEOSSOPVSA-N
MW495.60 g/mol
LogP3.70
Rot. Bonds10

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

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide (PubChem CID 164621788) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide
PubChem CID164621788
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C26H29N3O5S/c1-18(2)15-24(27)26(31)29-35(32,33)23-10-6-9-21(16-23)28-25(30)20-11-13-22(14-12-20)34-17-19-7-4-3-5-8-19/h3-14,16,18,24H,15,17,27H2,1-2H3,(H,28,30)(H,29,31)/t24-/m0/s1
InChIKeyNUMUTKBHQCXYOJ-DEOSSOPVSA-N
XLogP3.70
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

PG-116800
CID 9848869
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
3-[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168276560
Anti-Influenza agent 4
CID 4156245
4-(4-acetylphenoxy)-N-[3-(azepan-1-ylsulfonyl)phenyl]butanamide
CID 4803938
N-[4-(aminosulfonyl)phenyl]-4-(tetrahydro-2-furanylmethoxy)benzamide
CID 16293856
Ethyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-(4-ethoxyphenyl)propanoate
CID 3243338
N-[4-[[3-(hydroxyamino)-3-oxopropyl]-[2-(4-methoxyphenyl)ethyl]sulfamoyl]phenyl]benzamide
CID 9870477
6-Methoxy-2-[4-(4-methoxy-benzoylamino)-benzenesulfonylamino]-hex-4-ynoic acid
CID 10623250
2-[4-(4-Methoxy-benzoylamino)-benzenesulfonylamino]-6-phenoxy-hex-4-ynoic acid
CID 10696977
1-(4-ethoxybenzoyl)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 44328876

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide (CID 164621788) is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide is CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide?
The InChIKey is NUMUTKBHQCXYOJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-18(2)15-24(27)26(31)29-35(32,33)23-10-6-9-21(16-23)28-25(30)20-11-13-22(14-12-20)34-17-19-7-4-3-5-8-19/h3-14,16,18,24H,15,17,27H2,1-2H3,(H,28,30)(H,29,31)/t24-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide?
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-phenylmethoxybenzamide has a molecular weight of 495.60 g/mol, XLogP of 3.70, 10 rotatable bonds, 3 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-phenylmethoxybenzamide is sourced from PubChem (CID 164621788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).