4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide

C12H19N3O4S — CID 18104892

IUPAC4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C12H19N3O4S/c1-2-3-13-12(16)11-8-10(9-14-11)20(17,18)15-4-6-19-7-5-15/h8-9,14H,2-7H2,1H3,(H,13,16)
InChIKeyWCMDHPMSQAYECA-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.18
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide

4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide (PubChem CID 18104892) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
PubChem CID18104892
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C12H19N3O4S/c1-2-3-13-12(16)11-8-10(9-14-11)20(17,18)15-4-6-19-7-5-15/h8-9,14H,2-7H2,1H3,(H,13,16)
InChIKeyWCMDHPMSQAYECA-UHFFFAOYSA-N
XLogP0.18
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106265
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
N-[(2,4-dimethylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55582668
N-cyclohexyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18108637
N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18107883
N-(2-hydroxyethyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 43392938
N-[(4-fluoro-3-methylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18129849
N-butan-2-yl-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 47092131
N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18104587
N-[2-(methylamino)ethyl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 119503707
N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide (CID 18104892) is 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide is CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is WCMDHPMSQAYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-3-13-12(16)11-8-10(9-14-11)20(17,18)15-4-6-19-7-5-15/h8-9,14H,2-7H2,1H3,(H,13,16).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide?
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18104892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).