N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C19H24ClN3O5S — CID 16572548

IUPACN-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C19H24ClN3O5S/c1-21(7-12-28-16-5-3-15(20)4-6-16)19(24)18-13-17(14-22(18)2)29(25,26)23-8-10-27-11-9-23/h3-6,13-14H,7-12H2,1-2H3
InChIKeyDKSVSRCRGFUENE-UHFFFAOYSA-N
MW441.94 g/mol
LogP1.85
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 16572548) has the molecular formula C19H24ClN3O5S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID16572548
Molecular FormulaC19H24ClN3O5S
Molecular Weight441.94 g/mol
Exact Mass441.11
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C
InChIInChI=1S/C19H24ClN3O5S/c1-21(7-12-28-16-5-3-15(20)4-6-16)19(24)18-13-17(14-22(18)2)29(25,26)23-8-10-27-11-9-23/h3-6,13-14H,7-12H2,1-2H3
InChIKeyDKSVSRCRGFUENE-UHFFFAOYSA-N
XLogP1.85
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
N-(2-aminoethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 28818964
(4-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate
CID 16572505
1-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 27795592
(E)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26994510
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 55696713
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 24551520
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 2-(4-chlorophenyl)sulfanylacetate
CID 26970218
N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55955665

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 16572548) is N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is DKSVSRCRGFUENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O5S/c1-21(7-12-28-16-5-3-15(20)4-6-16)19(24)18-13-17(14-22(18)2)29(25,26)23-8-10-27-11-9-23/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 441.94 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 16572548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).