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

C14H23N3O4S — CID 22519046

IUPACN-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O4S/c1-14(2,3)15-13(18)12-9-11(10-16(12)4)22(19,20)17-5-7-21-8-6-17/h9-10H,5-8H2,1-4H3,(H,15,18)
InChIKeyAUQIMTMMRMPSLJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.57
Rot. Bonds3

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

N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22519046) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID22519046
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O4S/c1-14(2,3)15-13(18)12-9-11(10-16(12)4)22(19,20)17-5-7-21-8-6-17/h9-10H,5-8H2,1-4H3,(H,15,18)
InChIKeyAUQIMTMMRMPSLJ-UHFFFAOYSA-N
XLogP0.57
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 24529348
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17407087
1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 22519089
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 26744296
1-methyl-N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17405267
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519090
N-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 154836055
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22576668

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 22519046) is N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is AUQIMTMMRMPSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-14(2,3)15-13(18)12-9-11(10-16(12)4)22(19,20)17-5-7-21-8-6-17/h9-10H,5-8H2,1-4H3,(H,15,18).
What are the key properties of N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22519046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).