4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide

C16H28N4O5S — CID 120890345

IUPAC4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOCCNS(=O)(=O)c1c[nH]c(C(=O)NCC2(COC)CCNCC2)c1
InChIInChI=1S/C16H28N4O5S/c1-24-8-7-20-26(22,23)13-9-14(18-10-13)15(21)19-11-16(12-25-2)3-5-17-6-4-16/h9-10,17-18,20H,3-8,11-12H2,1-2H3,(H,19,21)
InChIKeyWGWWHTKCFFWJRN-UHFFFAOYSA-N
MW388.49 g/mol
LogP-0.31
Rot. Bonds10

About 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide

4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 120890345) has the molecular formula C16H28N4O5S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID120890345
Molecular FormulaC16H28N4O5S
Molecular Weight388.49 g/mol
Exact Mass388.18
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCOCCNS(=O)(=O)c1c[nH]c(C(=O)NCC2(COC)CCNCC2)c1
InChIInChI=1S/C16H28N4O5S/c1-24-8-7-20-26(22,23)13-9-14(18-10-13)15(21)19-11-16(12-25-2)3-5-17-6-4-16/h9-10,17-18,20H,3-8,11-12H2,1-2H3,(H,19,21)
InChIKeyWGWWHTKCFFWJRN-UHFFFAOYSA-N
XLogP-0.31
TPSA121.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120889315
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]-methylamino]acetic acid
CID 119346707
(2S)-2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]amino]propanoic acid
CID 119942974
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 120888439
4-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
CID 119357757
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 120891798
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 120891925
(2S)-2-[[4-(2-methoxyethylsulfamoyl)-1H-pyrrole-2-carbonyl]amino]-2-phenylacetic acid
CID 119372735
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide (CID 120890345) is 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide is COCCNS(=O)(=O)c1c[nH]c(C(=O)NCC2(COC)CCNCC2)c1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WGWWHTKCFFWJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O5S/c1-24-8-7-20-26(22,23)13-9-14(18-10-13)15(21)19-11-16(12-25-2)3-5-17-6-4-16/h9-10,17-18,20H,3-8,11-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide?
4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of -0.31, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 120890345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).