2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C18H27N3O4S — CID 15992072

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2CC1C
InChIInChI=1S/C18H27N3O4S/c1-3-18(22)21-14(2)12-15-13-16(4-5-17(15)21)26(23,24)19-6-7-20-8-10-25-11-9-20/h4-5,13-14,19H,3,6-12H2,1-2H3
InChIKeyKZHCZEHAOUDMDJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.98
Rot. Bonds6

About 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 15992072) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID15992072
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2CC1C
InChIInChI=1S/C18H27N3O4S/c1-3-18(22)21-14(2)12-15-13-16(4-5-17(15)21)26(23,24)19-6-7-20-8-10-25-11-9-20/h4-5,13-14,19H,3,6-12H2,1-2H3
InChIKeyKZHCZEHAOUDMDJ-UHFFFAOYSA-N
XLogP0.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 15992072) is 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2CC1C.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KZHCZEHAOUDMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-3-18(22)21-14(2)12-15-13-16(4-5-17(15)21)26(23,24)19-6-7-20-8-10-25-11-9-20/h4-5,13-14,19H,3,6-12H2,1-2H3.
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 381.50 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15992072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).