N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide

C18H20N2O2S — CID 124516062

IUPACN-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)sc1C
InChIInChI=1S/C18H20N2O2S/c1-11-7-17(23-12(11)2)18(22)20-14(10-21)8-13-9-19-16-6-4-3-5-15(13)16/h3-7,9,14,19,21H,8,10H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyMRWYAYAZVXTEJS-AWEZNQCLSA-N
MW328.44 g/mol
LogP3.18
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide

N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 124516062) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID124516062
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)sc1C
InChIInChI=1S/C18H20N2O2S/c1-11-7-17(23-12(11)2)18(22)20-14(10-21)8-13-9-19-16-6-4-3-5-15(13)16/h3-7,9,14,19,21H,8,10H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyMRWYAYAZVXTEJS-AWEZNQCLSA-N
XLogP3.18
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 136761398
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 70718086
methyl (2R)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
CID 33244587
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4-methyl-3-(3-propan-2-ylphenyl)benzamide
CID 58832177
3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71035632
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(hydroxymethyl)-2-propan-2-yloxybenzamide
CID 71036031
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75515213
1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95347809
5-(3,5-dimethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxybenzamide
CID 71065400
4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117378

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide (CID 124516062) is N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)sc1C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is MRWYAYAZVXTEJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-11-7-17(23-12(11)2)18(22)20-14(10-21)8-13-9-19-16-6-4-3-5-15(13)16/h3-7,9,14,19,21H,8,10H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide?
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 124516062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).