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

C25H27N3O4S — CID 164614393

IUPACN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C25H27N3O4S/c1-17(2)14-23(26)25(30)28-33(31,32)22-13-7-12-21(16-22)27-24(29)20-11-6-10-19(15-20)18-8-4-3-5-9-18/h3-13,15-17,23H,14,26H2,1-2H3,(H,27,29)(H,28,30)/t23-/m0/s1
InChIKeyNJBUKCKQHVWDEP-QHCPKHFHSA-N
MW465.58 g/mol
LogP3.78
Rot. Bonds8

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

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide (PubChem CID 164614393) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide
PubChem CID164614393
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C25H27N3O4S/c1-17(2)14-23(26)25(30)28-33(31,32)22-13-7-12-21(16-22)27-24(29)20-11-6-10-19(15-20)18-8-4-3-5-9-18/h3-13,15-17,23H,14,26H2,1-2H3,(H,27,29)(H,28,30)/t23-/m0/s1
InChIKeyNJBUKCKQHVWDEP-QHCPKHFHSA-N
XLogP3.78
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide
CID 164610189
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 164625109
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 164618952
(2S)-2-amino-4-methyl-N-[3-[(2-phenoxyacetyl)amino]phenyl]sulfonylpentanamide
CID 155559842
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
CID 119870573
N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide
CID 164610308
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
CID 57200354
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide
CID 119712954

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide?
The IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide (CID 164614393) is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide is CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide?
The InChIKey is NJBUKCKQHVWDEP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-17(2)14-23(26)25(30)28-33(31,32)22-13-7-12-21(16-22)27-24(29)20-11-6-10-19(15-20)18-8-4-3-5-9-18/h3-13,15-17,23H,14,26H2,1-2H3,(H,27,29)(H,28,30)/t23-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide?
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide has a molecular weight of 465.58 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide is sourced from PubChem (CID 164614393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).