(4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate

C19H24N2O5S — CID 16572505

IUPAC(4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate
SMILESCC(C)c1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C19H24N2O5S/c1-14(2)15-4-6-16(7-5-15)26-19(22)18-12-17(13-20(18)3)27(23,24)21-8-10-25-11-9-21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyOIGAWWQLPFBNNC-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.39
Rot. Bonds5

About (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate

(4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate (PubChem CID 16572505) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate
PubChem CID16572505
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name(4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate
SMILESCC(C)c1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C19H24N2O5S/c1-14(2)15-4-6-16(7-5-15)26-19(22)18-12-17(13-20(18)3)27(23,24)21-8-10-25-11-9-21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyOIGAWWQLPFBNNC-UHFFFAOYSA-N
XLogP2.39
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-iodophenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate
CID 16572621
(2-methoxy-4-methoxycarbonylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate
CID 16572627
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 16572548
N-tert-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519046
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
[4-(thiophene-2-carbonylamino)phenyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 31842656
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
[4-(thiophene-2-carbonylamino)phenyl] 1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylate
CID 55630348
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 46513241

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate?
The IUPAC name of (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate (CID 16572505) is (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate.
What is the SMILES notation for (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate?
The canonical SMILES for (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate is CC(C)c1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate?
The InChIKey is OIGAWWQLPFBNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14(2)15-4-6-16(7-5-15)26-19(22)18-12-17(13-20(18)3)27(23,24)21-8-10-25-11-9-21/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate?
(4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate has a molecular weight of 392.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate is sourced from PubChem (CID 16572505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).