(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide

C20H33N3O4S — CID 36618447

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCCCCC(C)C)cc1
InChIInChI=1S/C20H33N3O4S/c1-15(2)9-7-5-6-8-14-21-20(25)16(3)23-28(26,27)19-12-10-18(11-13-19)22-17(4)24/h10-13,15-16,23H,5-9,14H2,1-4H3,(H,21,25)(H,22,24)/t16-/m0/s1
InChIKeyVPZWXDOOSYEING-INIZCTEOSA-N
MW411.57 g/mol
LogP3.03
Rot. Bonds12

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide (PubChem CID 36618447) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
PubChem CID36618447
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCCCCC(C)C)cc1
InChIInChI=1S/C20H33N3O4S/c1-15(2)9-7-5-6-8-14-21-20(25)16(3)23-28(26,27)19-12-10-18(11-13-19)22-17(4)24/h10-13,15-16,23H,5-9,14H2,1-4H3,(H,21,25)(H,22,24)/t16-/m0/s1
InChIKeyVPZWXDOOSYEING-INIZCTEOSA-N
XLogP3.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 24517742
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24560457
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 24619756

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide (CID 36618447) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCCCCC(C)C)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide?
The InChIKey is VPZWXDOOSYEING-INIZCTEOSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-15(2)9-7-5-6-8-14-21-20(25)16(3)23-28(26,27)19-12-10-18(11-13-19)22-17(4)24/h10-13,15-16,23H,5-9,14H2,1-4H3,(H,21,25)(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide has a molecular weight of 411.57 g/mol, XLogP of 3.03, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide is sourced from PubChem (CID 36618447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).