N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide

C15H17NO3S — CID 96549835

IUPACN-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1sccc1OC)c1ccccc1O
InChIInChI=1S/C15H17NO3S/c1-3-11(10-6-4-5-7-12(10)17)16-15(18)14-13(19-2)8-9-20-14/h4-9,11,17H,3H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyHKNIHSQNMNSNDR-NSHDSACASA-N
MW291.37 g/mol
LogP3.34
Rot. Bonds5

About N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide

N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide (PubChem CID 96549835) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide
PubChem CID96549835
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1sccc1OC)c1ccccc1O
InChIInChI=1S/C15H17NO3S/c1-3-11(10-6-4-5-7-12(10)17)16-15(18)14-13(19-2)8-9-20-14/h4-9,11,17H,3H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyHKNIHSQNMNSNDR-NSHDSACASA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-[(R)-cyano-(2-methylphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549404
3-methoxy-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579170
N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide
CID 115647257
N-[(2S)-1-aminopropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 120508214
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 102673854
2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
CID 38839315
2-[1-(methoxyamino)propyl]phenol
CID 82706320
N-but-3-yn-2-yl-3-methoxythiophene-2-carboxamide
CID 114390087
(2S)-2-[(3-methoxythiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81126687
1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea
CID 51944210
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide
CID 96549349

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide (CID 96549835) is N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide is CC[C@H](NC(=O)c1sccc1OC)c1ccccc1O.
What is the InChIKey of N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is HKNIHSQNMNSNDR-NSHDSACASA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-11(10-6-4-5-7-12(10)17)16-15(18)14-13(19-2)8-9-20-14/h4-9,11,17H,3H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide?
N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-hydroxyphenyl)propyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 96549835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).