N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide

C18H25N3O4S — CID 110425662

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
SMILESCc1cc2cc(CNC(=O)CCS(=O)(=O)N3CCOCC3)ccc2n1C
InChIInChI=1S/C18H25N3O4S/c1-14-11-16-12-15(3-4-17(16)20(14)2)13-19-18(22)5-10-26(23,24)21-6-8-25-9-7-21/h3-4,11-12H,5-10,13H2,1-2H3,(H,19,22)
InChIKeyOAZRNOLCYOAEEL-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.16
Rot. Bonds6

About N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide

N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide (PubChem CID 110425662) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
PubChem CID110425662
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
SMILESCc1cc2cc(CNC(=O)CCS(=O)(=O)N3CCOCC3)ccc2n1C
InChIInChI=1S/C18H25N3O4S/c1-14-11-16-12-15(3-4-17(16)20(14)2)13-19-18(22)5-10-26(23,24)21-6-8-25-9-7-21/h3-4,11-12H,5-10,13H2,1-2H3,(H,19,22)
InChIKeyOAZRNOLCYOAEEL-UHFFFAOYSA-N
XLogP1.16
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 61004747
(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110296118
3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982188
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide (CID 110425662) is N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide is Cc1cc2cc(CNC(=O)CCS(=O)(=O)N3CCOCC3)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide?
The InChIKey is OAZRNOLCYOAEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-14-11-16-12-15(3-4-17(16)20(14)2)13-19-18(22)5-10-26(23,24)21-6-8-25-9-7-21/h3-4,11-12H,5-10,13H2,1-2H3,(H,19,22).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide?
N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide has a molecular weight of 379.48 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide is sourced from PubChem (CID 110425662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).