2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C21H25N3O5S2 — CID 50767840

IUPAC2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCc2cccs2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H25N3O5S2/c1-21(2)17-12-16(31(27,28)23-7-9-29-10-8-23)5-6-18(17)24(20(21)26)14-19(25)22-13-15-4-3-11-30-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,25)
InChIKeyDPNKDEDTYLODKM-UHFFFAOYSA-N
MW463.58 g/mol
LogP1.71
Rot. Bonds6

About 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 50767840) has the molecular formula C21H25N3O5S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID50767840
Molecular FormulaC21H25N3O5S2
Molecular Weight463.58 g/mol
Exact Mass463.12
IUPAC Name2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCc2cccs2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H25N3O5S2/c1-21(2)17-12-16(31(27,28)23-7-9-29-10-8-23)5-6-18(17)24(20(21)26)14-19(25)22-13-15-4-3-11-30-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,25)
InChIKeyDPNKDEDTYLODKM-UHFFFAOYSA-N
XLogP1.71
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767805
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
CID 50767788
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2-ethylphenyl)acetamide
CID 50767837
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 50767853
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 50767830
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide
CID 50767791
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 22583332
1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 20956655
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-phenylpropyl)acetamide
CID 50767600
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 650322
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 50767840) is 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is CC1(C)C(=O)N(CC(=O)NCc2cccs2)c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DPNKDEDTYLODKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S2/c1-21(2)17-12-16(31(27,28)23-7-9-29-10-8-23)5-6-18(17)24(20(21)26)14-19(25)22-13-15-4-3-11-30-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 463.58 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 50767840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).