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

C20H25N3O4S — CID 164625109

IUPACN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C20H25N3O4S/c1-13(2)11-18(21)20(25)23-28(26,27)16-9-6-8-15(12-16)22-19(24)17-10-5-4-7-14(17)3/h4-10,12-13,18H,11,21H2,1-3H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyXECMJEFTRIJTAZ-SFHVURJKSA-N
MW403.50 g/mol
LogP2.43
Rot. Bonds7

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

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide (PubChem CID 164625109) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide
PubChem CID164625109
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C20H25N3O4S/c1-13(2)11-18(21)20(25)23-28(26,27)16-9-6-8-15(12-16)22-19(24)17-10-5-4-7-14(17)3/h4-10,12-13,18H,11,21H2,1-3H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyXECMJEFTRIJTAZ-SFHVURJKSA-N
XLogP2.43
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide
CID 164614393
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
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide
CID 164610189
N-[(2S)-1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 41117900
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
N-[4-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-bromobenzamide
CID 164610308
(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
CID 57200354
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 167744908

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide (CID 164625109) is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide?
The InChIKey is XECMJEFTRIJTAZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13(2)11-18(21)20(25)23-28(26,27)16-9-6-8-15(12-16)22-19(24)17-10-5-4-7-14(17)3/h4-10,12-13,18H,11,21H2,1-3H3,(H,22,24)(H,23,25)/t18-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide?
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.43, 7 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]-2-methylbenzamide is sourced from PubChem (CID 164625109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).