N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

C13H20N2O4S — CID 4545843

IUPACN-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NCCCO)cc1
InChIInChI=1S/C13H20N2O4S/c1-10-4-6-12(7-5-10)20(18,19)15-11(2)13(17)14-8-3-9-16/h4-7,11,15-16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyKZHYGEDZKZGAHV-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.16
Rot. Bonds7

About N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide

N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 4545843) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID4545843
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NCCCO)cc1
InChIInChI=1S/C13H20N2O4S/c1-10-4-6-12(7-5-10)20(18,19)15-11(2)13(17)14-8-3-9-16/h4-7,11,15-16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyKZHYGEDZKZGAHV-UHFFFAOYSA-N
XLogP0.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.16
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

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
(2S)-N-(2,2-diphenylpropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 24517481
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 4545843) is N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NC(C)C(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is KZHYGEDZKZGAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-4-6-12(7-5-10)20(18,19)15-11(2)13(17)14-8-3-9-16/h4-7,11,15-16H,3,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4545843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).