N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide

C18H22N2O4S2 — CID 31302164

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)C[C@H](C)O1
InChIInChI=1S/C18H22N2O4S2/c1-13-10-20(11-14(2)24-13)26(22,23)17-5-3-16(4-6-17)19-18(21)9-15-7-8-25-12-15/h3-8,12-14H,9-11H2,1-2H3,(H,19,21)/t13-,14+
InChIKeyYRIAUFZQHINFCJ-OKILXGFUSA-N
MW394.52 g/mol
LogP2.73
Rot. Bonds5

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide (PubChem CID 31302164) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide
PubChem CID31302164
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)C[C@H](C)O1
InChIInChI=1S/C18H22N2O4S2/c1-13-10-20(11-14(2)24-13)26(22,23)17-5-3-16(4-6-17)19-18(21)9-15-7-8-25-12-15/h3-8,12-14H,9-11H2,1-2H3,(H,19,21)/t13-,14+
InChIKeyYRIAUFZQHINFCJ-OKILXGFUSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 112767043
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2-nitrophenyl)acetamide
CID 26863026
2-(4-bromoanilino)-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 43015942
3-(benzenesulfonyl)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]propanamide
CID 26918163
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51152560
methyl 4-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]oxyacetyl]amino]benzoate
CID 42967897
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8899749
2-(2-bromoanilino)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]acetamide
CID 42069205
2-(2-bromoanilino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]acetamide
CID 42069203
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide (CID 31302164) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide is C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide?
The InChIKey is YRIAUFZQHINFCJ-OKILXGFUSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-13-10-20(11-14(2)24-13)26(22,23)17-5-3-16(4-6-17)19-18(21)9-15-7-8-25-12-15/h3-8,12-14H,9-11H2,1-2H3,(H,19,21)/t13-,14+.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide has a molecular weight of 394.52 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 31302164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).