(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide

C19H28N4O5S — CID 124968540

IUPAC(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
SMILESCOc1ccc(OCCc2cc([C@@H]3CN(S(=O)(=O)N(C)C)CCO3)nn2C)cc1
InChIInChI=1S/C19H28N4O5S/c1-21(2)29(24,25)23-10-12-28-19(14-23)18-13-15(22(3)20-18)9-11-27-17-7-5-16(26-4)6-8-17/h5-8,13,19H,9-12,14H2,1-4H3/t19-/m0/s1
InChIKeyJBUTVMVBWGKRGH-IBGZPJMESA-N
MW424.52 g/mol
LogP1.23
Rot. Bonds8

About (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide

(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide (PubChem CID 124968540) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
PubChem CID124968540
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
SMILESCOc1ccc(OCCc2cc([C@@H]3CN(S(=O)(=O)N(C)C)CCO3)nn2C)cc1
InChIInChI=1S/C19H28N4O5S/c1-21(2)29(24,25)23-10-12-28-19(14-23)18-13-15(22(3)20-18)9-11-27-17-7-5-16(26-4)6-8-17/h5-8,13,19H,9-12,14H2,1-4H3/t19-/m0/s1
InChIKeyJBUTVMVBWGKRGH-IBGZPJMESA-N
XLogP1.23
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127248548
2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 127248543
2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 127250740
(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
CID 124983011
(2S)-N,N-dimethyl-2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-sulfonamide
CID 125015961
N,N-dimethyl-2-(2-methylpyrimidin-4-yl)morpholine-4-sulfonamide
CID 110096221
(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 124979333
2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110115941
2,2-dimethyl-1-[(2R)-2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholin-4-yl]propan-1-one
CID 125027088
(2S)-2-[6-(dimethylamino)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide
CID 125014937
(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124991331
2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
CID 155983871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide (CID 124968540) is (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide is COc1ccc(OCCc2cc([C@@H]3CN(S(=O)(=O)N(C)C)CCO3)nn2C)cc1.
What is the InChIKey of (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
The InChIKey is JBUTVMVBWGKRGH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-21(2)29(24,25)23-10-12-28-19(14-23)18-13-15(22(3)20-18)9-11-27-17-7-5-16(26-4)6-8-17/h5-8,13,19H,9-12,14H2,1-4H3/t19-/m0/s1.
What are the key properties of (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide?
(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide has a molecular weight of 424.52 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 124968540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).