1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

C17H19N3O2S — CID 97416736

IUPAC1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1cc([C@@H](O)CNC(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-20-11-14(13-6-2-3-7-15(13)20)16(21)10-19-17(22)18-9-12-5-4-8-23-12/h2-8,11,16,21H,9-10H2,1H3,(H2,18,19,22)/t16-/m0/s1
InChIKeyXESGQEANCNTPBU-INIZCTEOSA-N
MW329.43 g/mol
LogP2.77
Rot. Bonds5

About 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 97416736) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID97416736
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1cc([C@@H](O)CNC(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-20-11-14(13-6-2-3-7-15(13)20)16(21)10-19-17(22)18-9-12-5-4-8-23-12/h2-8,11,16,21H,9-10H2,1H3,(H2,18,19,22)/t16-/m0/s1
InChIKeyXESGQEANCNTPBU-INIZCTEOSA-N
XLogP2.77
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 71780322
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 97414072
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95368354
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 51894413
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 97416736) is 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is Cn1cc([C@@H](O)CNC(=O)NCc2cccs2)c2ccccc21.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is XESGQEANCNTPBU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-20-11-14(13-6-2-3-7-15(13)20)16(21)10-19-17(22)18-9-12-5-4-8-23-12/h2-8,11,16,21H,9-10H2,1H3,(H2,18,19,22)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 329.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 97416736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).