N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide

C25H32N4O2S — CID 143661045

IUPACN-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide
SMILESCNc1cc(C)cc2cc(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)[nH]c12
InChIInChI=1S/C25H32N4O2S/c1-18-12-20-14-23(28-24(20)22(13-18)26-2)25(30)27-15-21(16-29-8-10-31-11-9-29)32-17-19-6-4-3-5-7-19/h3-7,12-14,21,26,28H,8-11,15-17H2,1-2H3,(H,27,30)
InChIKeyMFQFAGIUDBSPRD-UHFFFAOYSA-N
MW452.62 g/mol
LogP3.88
Rot. Bonds9

About N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide

N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide (PubChem CID 143661045) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide
PubChem CID143661045
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC NameN-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide
SMILESCNc1cc(C)cc2cc(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)[nH]c12
InChIInChI=1S/C25H32N4O2S/c1-18-12-20-14-23(28-24(20)22(13-18)26-2)25(30)27-15-21(16-29-8-10-31-11-9-29)32-17-19-6-4-3-5-7-19/h3-7,12-14,21,26,28H,8-11,15-17H2,1-2H3,(H,27,30)
InChIKeyMFQFAGIUDBSPRD-UHFFFAOYSA-N
XLogP3.88
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
CID 59135631
N-[2-benzylsulfanyl-3-(4-methylsulfonylpiperazin-1-yl)propyl]-7-(pyridin-2-ylsulfonylamino)-5-(3-sulfanylpropoxy)-1H-indole-2-carboxamide
CID 89040282
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-7-[methyl(thiophen-2-ylsulfonyl)amino]-2,3-dihydro-1H-indole-2-carboxamide
CID 70860785
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 56501654
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid
CID 19608777

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide?
The IUPAC name of N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide (CID 143661045) is N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide is CNc1cc(C)cc2cc(C(=O)NCC(CN3CCOCC3)SCc3ccccc3)[nH]c12.
What is the InChIKey of N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide?
The InChIKey is MFQFAGIUDBSPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-18-12-20-14-23(28-24(20)22(13-18)26-2)25(30)27-15-21(16-29-8-10-31-11-9-29)32-17-19-6-4-3-5-7-19/h3-7,12-14,21,26,28H,8-11,15-17H2,1-2H3,(H,27,30).
What are the key properties of N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide?
N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide has a molecular weight of 452.62 g/mol, XLogP of 3.88, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanyl-3-morpholin-4-ylpropyl)-5-methyl-7-(methylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 143661045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).