1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide

C20H23N3O5S2 — CID 20956655

IUPAC1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2CC1C(=O)NCc1cccs1
InChIInChI=1S/C20H23N3O5S2/c1-14(24)23-18-5-4-17(30(26,27)22-6-8-28-9-7-22)11-15(18)12-19(23)20(25)21-13-16-3-2-10-29-16/h2-5,10-11,19H,6-9,12-13H2,1H3,(H,21,25)
InChIKeyXREWEEWVYBHGFG-UHFFFAOYSA-N
MW449.55 g/mol
LogP1.36
Rot. Bonds5

About 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide

1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 20956655) has the molecular formula C20H23N3O5S2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
PubChem CID20956655
Molecular FormulaC20H23N3O5S2
Molecular Weight449.55 g/mol
Exact Mass449.11
IUPAC Name1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2CC1C(=O)NCc1cccs1
InChIInChI=1S/C20H23N3O5S2/c1-14(24)23-18-5-4-17(30(26,27)22-6-8-28-9-7-22)11-15(18)12-19(23)20(25)21-13-16-3-2-10-29-16/h2-5,10-11,19H,6-9,12-13H2,1H3,(H,21,25)
InChIKeyXREWEEWVYBHGFG-UHFFFAOYSA-N
XLogP1.36
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 92725524
1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956667
1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956683
1-acetyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956465
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 650322
(2S)-1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710601
1-acetyl-N-[(3-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956401
1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956585
(2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710593
1-acetyl-N-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956504
1-acetyl-5-(azepan-1-ylsulfonyl)-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 20956780
1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956571

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide (CID 20956655) is 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2CC1C(=O)NCc1cccs1.
What is the InChIKey of 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is XREWEEWVYBHGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S2/c1-14(24)23-18-5-4-17(30(26,27)22-6-8-28-9-7-22)11-15(18)12-19(23)20(25)21-13-16-3-2-10-29-16/h2-5,10-11,19H,6-9,12-13H2,1H3,(H,21,25).
What are the key properties of 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide?
1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).