(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide

C17H26N4O5S — CID 24619756

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N4O5S/c1-13(17(23)18-7-8-21-9-11-26-12-10-21)20-27(24,25)16-5-3-15(4-6-16)19-14(2)22/h3-6,13,20H,7-12H2,1-2H3,(H,18,23)(H,19,22)/t13-/m0/s1
InChIKeyQPURLCAZTZRBAN-ZDUSSCGKSA-N
MW398.49 g/mol
LogP-0.24
Rot. Bonds8

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 24619756) has the molecular formula C17H26N4O5S and a molecular weight of 398.49 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID24619756
Molecular FormulaC17H26N4O5S
Molecular Weight398.49 g/mol
Exact Mass398.16
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N4O5S/c1-13(17(23)18-7-8-21-9-11-26-12-10-21)20-27(24,25)16-5-3-15(4-6-16)19-14(2)22/h3-6,13,20H,7-12H2,1-2H3,(H,18,23)(H,19,22)/t13-/m0/s1
InChIKeyQPURLCAZTZRBAN-ZDUSSCGKSA-N
XLogP-0.24
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 38810187
N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
CID 110285631
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
CID 36618447
1-[4-(ethylsulfamoyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 17255659
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 95396995
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 55938757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide (CID 24619756) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is QPURLCAZTZRBAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O5S/c1-13(17(23)18-7-8-21-9-11-26-12-10-21)20-27(24,25)16-5-3-15(4-6-16)19-14(2)22/h3-6,13,20H,7-12H2,1-2H3,(H,18,23)(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 398.49 g/mol, XLogP of -0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 24619756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).