(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C21H25N3O4S — CID 8704322

IUPAC(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H25N3O4S/c1-16(24-11-10-17-4-2-3-5-20(17)24)21(25)22-18-6-8-19(9-7-18)29(26,27)23-12-14-28-15-13-23/h2-9,16H,10-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyVBBSCDMUFQMHOL-MRXNPFEDSA-N
MW415.52 g/mol
LogP2.10
Rot. Bonds5

About (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 8704322) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID8704322
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H25N3O4S/c1-16(24-11-10-17-4-2-3-5-20(17)24)21(25)22-18-6-8-19(9-7-18)29(26,27)23-12-14-28-15-13-23/h2-9,16H,10-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyVBBSCDMUFQMHOL-MRXNPFEDSA-N
XLogP2.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41000946
2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3340504
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide
CID 75494168
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087425
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3-dihydroindol-1-yl)propan-1-one
CID 9432317
2-(2,3-dihydroindol-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 126768965
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 6599964
N-(4-morpholin-4-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133251824
2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 45356007

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 8704322) is (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2ccccc21.
What is the InChIKey of (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is VBBSCDMUFQMHOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16(24-11-10-17-4-2-3-5-20(17)24)21(25)22-18-6-8-19(9-7-18)29(26,27)23-12-14-28-15-13-23/h2-9,16H,10-15H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 415.52 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 8704322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).