N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide

C19H27N3O4S — CID 110286518

IUPACN-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1
InChIInChI=1S/C19H27N3O4S/c1-2-3-12-27(24,25)21-18(19(23)22-8-10-26-11-9-22)13-15-14-20-17-7-5-4-6-16(15)17/h4-7,14,18,20-21H,2-3,8-13H2,1H3/t18-/m0/s1
InChIKeyRZLWJOIGGOAZIP-SFHVURJKSA-N
MW393.51 g/mol
LogP1.66
Rot. Bonds8

About N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide

N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide (PubChem CID 110286518) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide
PubChem CID110286518
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1
InChIInChI=1S/C19H27N3O4S/c1-2-3-12-27(24,25)21-18(19(23)22-8-10-26-11-9-22)13-15-14-20-17-7-5-4-6-16(15)17/h4-7,14,18,20-21H,2-3,8-13H2,1H3/t18-/m0/s1
InChIKeyRZLWJOIGGOAZIP-SFHVURJKSA-N
XLogP1.66
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide
CID 110286463
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492
N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3549726
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
3-acetamido-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 110625994
(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 10694604
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 110286554
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
4-chloro-N-[3-(1H-indol-3-yl)-1-(2-methylmorpholin-4-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 42889070
4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 42003293
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide (CID 110286518) is N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide?
The InChIKey is RZLWJOIGGOAZIP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-2-3-12-27(24,25)21-18(19(23)22-8-10-26-11-9-22)13-15-14-20-17-7-5-4-6-16(15)17/h4-7,14,18,20-21H,2-3,8-13H2,1H3/t18-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide?
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 110286518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).