N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide

C17H21NO3S — CID 94800112

IUPACN-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](O)CO[C@H](C)c2ccccc2)s1
InChIInChI=1S/C17H21NO3S/c1-12-8-9-16(22-12)17(20)18-10-15(19)11-21-13(2)14-6-4-3-5-7-14/h3-9,13,15,19H,10-11H2,1-2H3,(H,18,20)/t13-,15-/m1/s1
InChIKeyGJHDCXPIMAUCKS-UKRRQHHQSA-N
MW319.43 g/mol
LogP2.93
Rot. Bonds7

About N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide

N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide (PubChem CID 94800112) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide
PubChem CID94800112
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](O)CO[C@H](C)c2ccccc2)s1
InChIInChI=1S/C17H21NO3S/c1-12-8-9-16(22-12)17(20)18-10-15(19)11-21-13(2)14-6-4-3-5-7-14/h3-9,13,15,19H,10-11H2,1-2H3,(H,18,20)/t13-,15-/m1/s1
InChIKeyGJHDCXPIMAUCKS-UKRRQHHQSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 94031299
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
CID 96538610
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
CID 83121787
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
(2R)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 124856624
(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 97215274
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
1-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51084625
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide (CID 94800112) is N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC[C@@H](O)CO[C@H](C)c2ccccc2)s1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide?
The InChIKey is GJHDCXPIMAUCKS-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-8-9-16(22-12)17(20)18-10-15(19)11-21-13(2)14-6-4-3-5-7-14/h3-9,13,15,19H,10-11H2,1-2H3,(H,18,20)/t13-,15-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide?
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 94800112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).