[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone

C27H28N2O4S — CID 46383999

IUPAC[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCCc1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)cc1
InChIInChI=1S/C27H28N2O4S/c1-2-20-3-10-25(11-4-20)34(31,32)29-14-13-24-19-23(9-12-26(24)29)21-5-7-22(8-6-21)27(30)28-15-17-33-18-16-28/h3-12,19H,2,13-18H2,1H3
InChIKeyVMFVHLGXDOAUCK-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.14
Rot. Bonds5

About [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone

[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 46383999) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID46383999
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC Name[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCCc1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)cc1
InChIInChI=1S/C27H28N2O4S/c1-2-20-3-10-25(11-4-20)34(31,32)29-14-13-24-19-23(9-12-26(24)29)21-5-7-22(8-6-21)27(30)28-15-17-33-18-16-28/h3-12,19H,2,13-18H2,1H3
InChIKeyVMFVHLGXDOAUCK-UHFFFAOYSA-N
XLogP4.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383992
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 53109904
N-(2-methylpropyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383985
ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate
CID 92882080
ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate
CID 46383956
[4-(4-ethylphenyl)sulfonyl-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-morpholin-4-ylmethanone
CID 171143379
ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate
CID 46383962
(4-ethylphenyl)-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone
CID 26559343
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383982
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone (CID 46383999) is [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone is CCc1ccc(S(=O)(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)cc1.
What is the InChIKey of [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is VMFVHLGXDOAUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-2-20-3-10-25(11-4-20)34(31,32)29-14-13-24-19-23(9-12-26(24)29)21-5-7-22(8-6-21)27(30)28-15-17-33-18-16-28/h3-12,19H,2,13-18H2,1H3.
What are the key properties of [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 476.60 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46383999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).