(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide

C16H26N2O3S — CID 7230015

IUPAC(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O3S/c1-4-5-6-7-12-17-16(19)14(3)18-22(20,21)15-10-8-13(2)9-11-15/h8-11,14,18H,4-7,12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyAHCNLBKQYJOHTF-CQSZACIVSA-N
MW326.46 g/mol
LogP2.36
Rot. Bonds9

About (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide

(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 7230015) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID7230015
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O3S/c1-4-5-6-7-12-17-16(19)14(3)18-22(20,21)15-10-8-13(2)9-11-15/h8-11,14,18H,4-7,12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyAHCNLBKQYJOHTF-CQSZACIVSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 4545843
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2954412
butyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24670806
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
CID 102010985
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 7230015) is (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide is CCCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is AHCNLBKQYJOHTF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-5-6-7-12-17-16(19)14(3)18-22(20,21)15-10-8-13(2)9-11-15/h8-11,14,18H,4-7,12H2,1-3H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 326.46 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 7230015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).