1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea

C19H25N3OS — CID 7179244

IUPAC1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea
SMILESCC(C)(C)NC(=O)NC[C@H](c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C19H25N3OS/c1-19(2,3)21-18(23)20-13-16(17-9-6-12-24-17)22-11-10-14-7-4-5-8-15(14)22/h4-9,12,16H,10-11,13H2,1-3H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyQPDTYSKKAZUUPX-MRXNPFEDSA-N
MW343.50 g/mol
LogP3.95
Rot. Bonds4

About 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea

1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea (PubChem CID 7179244) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea
PubChem CID7179244
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea
SMILESCC(C)(C)NC(=O)NC[C@H](c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C19H25N3OS/c1-19(2,3)21-18(23)20-13-16(17-9-6-12-24-17)22-11-10-14-7-4-5-8-15(14)22/h4-9,12,16H,10-11,13H2,1-3H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyQPDTYSKKAZUUPX-MRXNPFEDSA-N
XLogP3.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea with MolForge

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Related Compounds

N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-methyloxamide
CID 41181013
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7179412
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 18577709
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 7179568
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 7179544
1-tert-butyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]urea
CID 7497585
N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-[3-(dimethylamino)propyl]oxamide
CID 7179407
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 7179487
4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 7179316
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 41181020
N'-(2-chlorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 18577798
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(2-methoxyphenyl)oxamide
CID 7179549

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea (CID 7179244) is 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea is CC(C)(C)NC(=O)NC[C@H](c1cccs1)N1CCc2ccccc21.
What is the InChIKey of 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea?
The InChIKey is QPDTYSKKAZUUPX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-19(2,3)21-18(23)20-13-16(17-9-6-12-24-17)22-11-10-14-7-4-5-8-15(14)22/h4-9,12,16H,10-11,13H2,1-3H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea?
1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea has a molecular weight of 343.50 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 7179244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).