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

C21H27N3O5S — CID 164608922

IUPACN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)cc1
InChIInChI=1S/C21H27N3O5S/c1-4-29-17-10-8-15(9-11-17)20(25)23-16-6-5-7-18(13-16)30(27,28)24-21(26)19(22)12-14(2)3/h5-11,13-14,19H,4,12,22H2,1-3H3,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyZPYDDPMVEXOGEV-IBGZPJMESA-N
MW433.53 g/mol
LogP2.52
Rot. Bonds9

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

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide (PubChem CID 164608922) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide
PubChem CID164608922
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)cc1
InChIInChI=1S/C21H27N3O5S/c1-4-29-17-10-8-15(9-11-17)20(25)23-16-6-5-7-18(13-16)30(27,28)24-21(26)19(22)12-14(2)3/h5-11,13-14,19H,4,12,22H2,1-3H3,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyZPYDDPMVEXOGEV-IBGZPJMESA-N
XLogP2.52
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.52
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-ethoxybenzamide?
The IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide (CID 164608922) is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide is CCOc1ccc(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-ethoxybenzamide?
The InChIKey is ZPYDDPMVEXOGEV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-4-29-17-10-8-15(9-11-17)20(25)23-16-6-5-7-18(13-16)30(27,28)24-21(26)19(22)12-14(2)3/h5-11,13-14,19H,4,12,22H2,1-3H3,(H,23,25)(H,24,26)/t19-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide?
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-4-ethoxybenzamide has a molecular weight of 433.53 g/mol, XLogP of 2.52, 9 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-ethoxybenzamide is sourced from PubChem (CID 164608922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).