N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide

C11H19N3O4S — CID 47417604

IUPACN-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide
SMILESCOCCCNC(=O)C(C)S(=O)(=O)c1nccn1C
InChIInChI=1S/C11H19N3O4S/c1-9(10(15)12-5-4-8-18-3)19(16,17)11-13-6-7-14(11)2/h6-7,9H,4-5,8H2,1-3H3,(H,12,15)
InChIKeyGPQXEMSSMQCJJF-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.26
Rot. Bonds7

About N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide

N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide (PubChem CID 47417604) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide
PubChem CID47417604
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide
SMILESCOCCCNC(=O)C(C)S(=O)(=O)c1nccn1C
InChIInChI=1S/C11H19N3O4S/c1-9(10(15)12-5-4-8-18-3)19(16,17)11-13-6-7-14(11)2/h6-7,9H,4-5,8H2,1-3H3,(H,12,15)
InChIKeyGPQXEMSSMQCJJF-UHFFFAOYSA-N
XLogP-0.26
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide
CID 94149721
1-(3-hydroxypropyl)-3-(1-methylimidazol-2-yl)sulfonylurea
CID 154849339
2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 81201903
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 94055737
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60783044
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807
1-(1-methylimidazol-2-yl)sulfonylethanamine;hydrochloride
CID 22018176
(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 39082461
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
3-(3-methoxypropylamino)-1-methylpyrazin-2-one
CID 62939042
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide (CID 47417604) is N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide is COCCCNC(=O)C(C)S(=O)(=O)c1nccn1C.
What is the InChIKey of N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide?
The InChIKey is GPQXEMSSMQCJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-9(10(15)12-5-4-8-18-3)19(16,17)11-13-6-7-14(11)2/h6-7,9H,4-5,8H2,1-3H3,(H,12,15).
What are the key properties of N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide?
N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide has a molecular weight of 289.36 g/mol, XLogP of -0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide is sourced from PubChem (CID 47417604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).