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

C20H25N3O5S — CID 164614036

IUPACN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)cc1
InChIInChI=1S/C20H25N3O5S/c1-13(2)11-18(21)20(25)23-29(26,27)17-6-4-5-15(12-17)22-19(24)14-7-9-16(28-3)10-8-14/h4-10,12-13,18H,11,21H2,1-3H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyYNTSSYPOMGMRFB-SFHVURJKSA-N
MW419.50 g/mol
LogP2.13
Rot. Bonds8

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

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide (PubChem CID 164614036) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide
PubChem CID164614036
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)cc1
InChIInChI=1S/C20H25N3O5S/c1-13(2)11-18(21)20(25)23-29(26,27)17-6-4-5-15(12-17)22-19(24)14-7-9-16(28-3)10-8-14/h4-10,12-13,18H,11,21H2,1-3H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyYNTSSYPOMGMRFB-SFHVURJKSA-N
XLogP2.13
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide (CID 164614036) is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)cc1.
What is the InChIKey of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide?
The InChIKey is YNTSSYPOMGMRFB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-13(2)11-18(21)20(25)23-29(26,27)17-6-4-5-15(12-17)22-19(24)14-7-9-16(28-3)10-8-14/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]-4-methoxybenzamide?
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-methoxybenzamide has a molecular weight of 419.50 g/mol, XLogP of 2.13, 8 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-methoxybenzamide is sourced from PubChem (CID 164614036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).