(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide

C19H20N2O3S2 — CID 51924941

IUPAC(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N2O3S2/c22-19(13-7-9-26(23,24)12-13)21-11-16(18-6-3-8-25-18)15-10-20-17-5-2-1-4-14(15)17/h1-6,8,10,13,16,20H,7,9,11-12H2,(H,21,22)/t13-,16-/m0/s1
InChIKeyAZBBXADHJYTGKR-BBRMVZONSA-N
MW388.51 g/mol
LogP2.91
Rot. Bonds5

About (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 51924941) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID51924941
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N2O3S2/c22-19(13-7-9-26(23,24)12-13)21-11-16(18-6-3-8-25-18)15-10-20-17-5-2-1-4-14(15)17/h1-6,8,10,13,16,20H,7,9,11-12H2,(H,21,22)/t13-,16-/m0/s1
InChIKeyAZBBXADHJYTGKR-BBRMVZONSA-N
XLogP2.91
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088810
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088811
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56581131
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 42934711
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 134012964
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
N-[2-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55370138
4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 42934708

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide (CID 51924941) is (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide is O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is AZBBXADHJYTGKR-BBRMVZONSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c22-19(13-7-9-26(23,24)12-13)21-11-16(18-6-3-8-25-18)15-10-20-17-5-2-1-4-14(15)17/h1-6,8,10,13,16,20H,7,9,11-12H2,(H,21,22)/t13-,16-/m0/s1.
What are the key properties of (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 51924941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).