2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline

C35H36N4O3S — CID 4162312

IUPAC2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C35H36N4O3S/c1-3-37(4-2)34-20-19-29(43(40,41)38-21-23-42-24-22-38)25-32(34)36-26-31-30-17-11-12-18-33(30)39(28-15-9-6-10-16-28)35(31)27-13-7-5-8-14-27/h5-20,25-26H,3-4,21-24H2,1-2H3/b36-26+
InChIKeyDSWUGRXIDRSPPB-LZBRRTOVSA-N
MW592.77 g/mol
LogP6.92
Rot. Bonds9

About 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline

2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline (PubChem CID 4162312) has the molecular formula C35H36N4O3S and a molecular weight of 592.77 g/mol. Its IUPAC name is 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline
PubChem CID4162312
Molecular FormulaC35H36N4O3S
Molecular Weight592.77 g/mol
Exact Mass592.25
IUPAC Name2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C35H36N4O3S/c1-3-37(4-2)34-20-19-29(43(40,41)38-21-23-42-24-22-38)25-32(34)36-26-31-30-17-11-12-18-33(30)39(28-15-9-6-10-16-28)35(31)27-13-7-5-8-14-27/h5-20,25-26H,3-4,21-24H2,1-2H3/b36-26+
InChIKeyDSWUGRXIDRSPPB-LZBRRTOVSA-N
XLogP6.92
TPSA67.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 7025608
1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 3487622
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637
2-(benzotriazol-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55370605
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 30345312
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 29251421
N-butyl-N-ethyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 26472283
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine
CID 4083943
N-ethyl-4-morpholin-4-ylsulfonyl-2-nitro-N-(thiophen-2-ylmethyl)aniline
CID 40677180
4-(benzenesulfonyl)morpholine;ethane
CID 143200179

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline?
The IUPAC name of 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline (CID 4162312) is 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline?
The InChIKey is DSWUGRXIDRSPPB-LZBRRTOVSA-N. The full InChI is InChI=1S/C35H36N4O3S/c1-3-37(4-2)34-20-19-29(43(40,41)38-21-23-42-24-22-38)25-32(34)36-26-31-30-17-11-12-18-33(30)39(28-15-9-6-10-16-28)35(31)27-13-7-5-8-14-27/h5-20,25-26H,3-4,21-24H2,1-2H3/b36-26+.
What are the key properties of 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline?
2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline has a molecular weight of 592.77 g/mol, XLogP of 6.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-diphenylindol-3-yl)methylideneamino]-N,N-diethyl-4-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 4162312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).