N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C22H26N2O5S — CID 2093949

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O5S/c1-28-20-8-5-16(13-21(20)30(26,27)24-9-11-29-12-10-24)14-22(25)23-19-7-6-17-3-2-4-18(17)15-19/h5-8,13,15H,2-4,9-12,14H2,1H3,(H,23,25)
InChIKeyLUXASBNHNAQRQV-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.39
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 2093949) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID2093949
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O5S/c1-28-20-8-5-16(13-21(20)30(26,27)24-9-11-29-12-10-24)14-22(25)23-19-7-6-17-3-2-4-18(17)15-19/h5-8,13,15H,2-4,9-12,14H2,1H3,(H,23,25)
InChIKeyLUXASBNHNAQRQV-UHFFFAOYSA-N
XLogP2.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid (3,4-dimethyl-phenyl)-amide
CID 649165
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
4-methoxy-N-(3-methylphenyl)-3-(morpholin-4-ylsulfonyl)benzamide
CID 1216502
Cambridge id 7106602
CID 1332587
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 2117898
N-(1,3-dioxoisoindol-4-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2123807
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 2664788
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2683636
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4009667
3-(4-methoxyphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 4802938
N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4857205

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 2093949) is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is LUXASBNHNAQRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-28-20-8-5-16(13-21(20)30(26,27)24-9-11-29-12-10-24)14-22(25)23-19-7-6-17-3-2-4-18(17)15-19/h5-8,13,15H,2-4,9-12,14H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 430.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 2093949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).