N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C14H23N3O4S — CID 17411212

IUPACN-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C14H23N3O4S/c1-3-4-5-15-14(18)13-10-12(11-16(13)2)22(19,20)17-6-8-21-9-7-17/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyCJZYUUQYKAOWIL-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.58
Rot. Bonds6

About N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 17411212) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID17411212
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C14H23N3O4S/c1-3-4-5-15-14(18)13-10-12(11-16(13)2)22(19,20)17-6-8-21-9-7-17/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyCJZYUUQYKAOWIL-UHFFFAOYSA-N
XLogP0.58
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519090
N-[3-(butylsulfamoyl)phenyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 24532844
N'-[2-[(1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carbonyl)amino]ethyl]-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
CID 166401640
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519058
N-[3-[ethyl(methylsulfonyl)amino]propyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55955220
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 24532722
N-(2-ethoxyethyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87020144
4-(diethylsulfamoyl)-1-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 16574135
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 17411212) is N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C.
What is the InChIKey of N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is CJZYUUQYKAOWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-3-4-5-15-14(18)13-10-12(11-16(13)2)22(19,20)17-6-8-21-9-7-17/h10-11H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 17411212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).