(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide

C21H27N3O5S — CID 24517360

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-15-5-9-19(10-6-15)29-14-13-24(4)21(26)16(2)23-30(27,28)20-11-7-18(8-12-20)22-17(3)25/h5-12,16,23H,13-14H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeySNRYDUXEOZGKMC-INIZCTEOSA-N
MW433.53 g/mol
LogP2.16
Rot. Bonds9

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 24517360) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID24517360
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-15-5-9-19(10-6-15)29-14-13-24(4)21(26)16(2)23-30(27,28)20-11-7-18(8-12-20)22-17(3)25/h5-12,16,23H,13-14H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeySNRYDUXEOZGKMC-INIZCTEOSA-N
XLogP2.16
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55323838
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26994635
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
CID 87006843
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl-methylamino]propanoic acid
CID 119208731
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365795
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55940319
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 24517360) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCOc2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is SNRYDUXEOZGKMC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-15-5-9-19(10-6-15)29-14-13-24(4)21(26)16(2)23-30(27,28)20-11-7-18(8-12-20)22-17(3)25/h5-12,16,23H,13-14H2,1-4H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide has a molecular weight of 433.53 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 24517360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).