4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide

C13H18N2O5S — CID 118739873

IUPAC4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide
SMILESCOc1cccc(S(=O)(=O)N2CCOC(C)(C(N)=O)C2)c1
InChIInChI=1S/C13H18N2O5S/c1-13(12(14)16)9-15(6-7-20-13)21(17,18)11-5-3-4-10(8-11)19-2/h3-5,8H,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyCSLRCVAIFUTVIR-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.04
Rot. Bonds4

About 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide

4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide (PubChem CID 118739873) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide
PubChem CID118739873
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide
SMILESCOc1cccc(S(=O)(=O)N2CCOC(C)(C(N)=O)C2)c1
InChIInChI=1S/C13H18N2O5S/c1-13(12(14)16)9-15(6-7-20-13)21(17,18)11-5-3-4-10(8-11)19-2/h3-5,8H,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyCSLRCVAIFUTVIR-UHFFFAOYSA-N
XLogP-0.04
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-4-(4-methylphenyl)sulfonylmorpholine-2-carboxamide
CID 95839416
2-methyl-4-thiophen-2-ylsulfonylmorpholine-2-carboxamide
CID 127247675
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565045
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
1-(3-methoxyphenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid
CID 81258397
(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124800923
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide
CID 110253727
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide (CID 118739873) is 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide is COc1cccc(S(=O)(=O)N2CCOC(C)(C(N)=O)C2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide?
The InChIKey is CSLRCVAIFUTVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-13(12(14)16)9-15(6-7-20-13)21(17,18)11-5-3-4-10(8-11)19-2/h3-5,8H,6-7,9H2,1-2H3,(H2,14,16).
What are the key properties of 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide?
4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 118739873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).