(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide

C23H27N3O3S — CID 40562409

IUPAC(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(NCCc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1
InChIInChI=1S/C23H27N3O3S/c27-23(24-11-10-18-6-2-1-3-7-18)22(26-12-14-30(28,29)15-13-26)16-19-17-25-21-9-5-4-8-20(19)21/h1-9,17,22,25H,10-16H2,(H,24,27)/t22-/m1/s1
InChIKeyZRSRNGTZYOXWMU-JOCHJYFZSA-N
MW425.55 g/mol
LogP2.17
Rot. Bonds7

About (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide

(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide (PubChem CID 40562409) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
PubChem CID40562409
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(NCCc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1
InChIInChI=1S/C23H27N3O3S/c27-23(24-11-10-18-6-2-1-3-7-18)22(26-12-14-30(28,29)15-13-26)16-19-17-25-21-9-5-4-8-20(19)21/h1-9,17,22,25H,10-16H2,(H,24,27)/t22-/m1/s1
InChIKeyZRSRNGTZYOXWMU-JOCHJYFZSA-N
XLogP2.17
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide
CID 40822722
N-(3-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide
CID 3724529
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanoyl]-4-(trifluoromethyl)benzohydrazide
CID 3811997
(2R)-2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 10918400
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide
CID 42701396
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
CID 23356005
4-[[(2S)-1-(2,2-dimethoxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 135069406
2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide (CID 40562409) is (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide is O=C(NCCc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is ZRSRNGTZYOXWMU-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O3S/c27-23(24-11-10-18-6-2-1-3-7-18)22(26-12-14-30(28,29)15-13-26)16-19-17-25-21-9-5-4-8-20(19)21/h1-9,17,22,25H,10-16H2,(H,24,27)/t22-/m1/s1.
What are the key properties of (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
(2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 425.55 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 40562409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).