N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide

C32H36N4O6S — CID 54069652

IUPACN-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1C(C)c1c[nH]c2ccc(CCNC(=O)N3CCOCC3)cc12
InChIInChI=1S/C32H36N4O6S/c1-21-6-4-5-7-30(21)43(39,40)35-31(37)24-9-10-25(29(19-24)41-3)22(2)27-20-34-28-11-8-23(18-26(27)28)12-13-33-32(38)36-14-16-42-17-15-36/h4-11,18-20,22,34H,12-17H2,1-3H3,(H,33,38)(H,35,37)
InChIKeyMFMPVOIOSYLOHW-UHFFFAOYSA-N
MW604.73 g/mol
LogP4.34
Rot. Bonds9

About N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide

N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide (PubChem CID 54069652) has the molecular formula C32H36N4O6S and a molecular weight of 604.73 g/mol. Its IUPAC name is N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide
PubChem CID54069652
Molecular FormulaC32H36N4O6S
Molecular Weight604.73 g/mol
Exact Mass604.24
IUPAC NameN-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1C(C)c1c[nH]c2ccc(CCNC(=O)N3CCOCC3)cc12
InChIInChI=1S/C32H36N4O6S/c1-21-6-4-5-7-30(21)43(39,40)35-31(37)24-9-10-25(29(19-24)41-3)22(2)27-20-34-28-11-8-23(18-26(27)28)12-13-33-32(38)36-14-16-42-17-15-36/h4-11,18-20,22,34H,12-17H2,1-3H3,(H,33,38)(H,35,37)
InChIKeyMFMPVOIOSYLOHW-UHFFFAOYSA-N
XLogP4.34
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.73
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-[2-methyl-1-[5-[2-methyl-3-oxo-3-(propylamino)propyl]-1H-indol-3-yl]propyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 54443698
4-[1-[5-(cyclopentylcarbamoylamino)-1H-indol-3-yl]ethyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 54389093
4-[1-[5-[2-(butylamino)-2-oxoethyl]-1H-indol-3-yl]butyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 54513346
4-[1-(5-amino-1H-indol-3-yl)ethyl]-N-[2-(2-chloroethoxy)phenyl]sulfonyl-3-methoxybenzamide
CID 54205947
4-[3-(dimethylamino)-1-[5-[(E)-2-methyl-3-oxo-3-(propylamino)prop-1-enyl]-1H-indol-3-yl]-3-oxopropyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 18637389
cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate
CID 54317711
sodium;cyclopentyl N-[3-[1-[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]ethyl]-1H-indol-5-yl]carbamate;hydride
CID 173331698
[4-[2-[[4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]ethyl]-3-methoxybenzoyl]sulfamoyl]phenyl]-2-methylbut-3-yn-2-yl] acetate
CID 19793616
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2109484
4-[[5-[4-(dimethylamino)-4-oxobutyl]-1-propan-2-ylindol-3-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 14882645
methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate
CID 19995010
3-methoxy-4-[[1-methyl-5-[2-methyl-3-oxo-3-(propylamino)propyl]indol-3-yl]methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 14882632

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide (CID 54069652) is N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide is COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1C(C)c1c[nH]c2ccc(CCNC(=O)N3CCOCC3)cc12.
What is the InChIKey of N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide?
The InChIKey is MFMPVOIOSYLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O6S/c1-21-6-4-5-7-30(21)43(39,40)35-31(37)24-9-10-25(29(19-24)41-3)22(2)27-20-34-28-11-8-23(18-26(27)28)12-13-33-32(38)36-14-16-42-17-15-36/h4-11,18-20,22,34H,12-17H2,1-3H3,(H,33,38)(H,35,37).
What are the key properties of N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide?
N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide has a molecular weight of 604.73 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 54069652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).