N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

C29H32N4O4S — CID 4831761

IUPACN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)c1ccc(C(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H32N4O4S/c1-32(2)23-12-10-21(11-13-23)26(27-20-30-28-9-4-3-8-25(27)28)19-31-29(34)22-6-5-7-24(18-22)38(35,36)33-14-16-37-17-15-33/h3-13,18,20,26,30H,14-17,19H2,1-2H3,(H,31,34)
InChIKeyNJQVJUYVTLSJCZ-UHFFFAOYSA-N
MW532.67 g/mol
LogP3.82
Rot. Bonds8

About N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4831761) has the molecular formula C29H32N4O4S and a molecular weight of 532.67 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4831761
Molecular FormulaC29H32N4O4S
Molecular Weight532.67 g/mol
Exact Mass532.21
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)c1ccc(C(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H32N4O4S/c1-32(2)23-12-10-21(11-13-23)26(27-20-30-28-9-4-3-8-25(27)28)19-31-29(34)22-6-5-7-24(18-22)38(35,36)33-14-16-37-17-15-33/h3-13,18,20,26,30H,14-17,19H2,1-2H3,(H,31,34)
InChIKeyNJQVJUYVTLSJCZ-UHFFFAOYSA-N
XLogP3.82
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 3461746
N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049716
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
(2S)-2-cyclopropyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 95781093
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 9464980
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 43004909
N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 42940229
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43053644
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 41170413
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 9479543

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 4831761) is N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is CN(C)c1ccc(C(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NJQVJUYVTLSJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4S/c1-32(2)23-12-10-21(11-13-23)26(27-20-30-28-9-4-3-8-25(27)28)19-31-29(34)22-6-5-7-24(18-22)38(35,36)33-14-16-37-17-15-33/h3-13,18,20,26,30H,14-17,19H2,1-2H3,(H,31,34).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 532.67 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4831761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).