N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide

C12H19NO3S — CID 111662690

IUPACN-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
SMILESCC(C)COCC(O)CNC(=O)c1ccsc1
InChIInChI=1S/C12H19NO3S/c1-9(2)6-16-7-11(14)5-13-12(15)10-3-4-17-8-10/h3-4,8-9,11,14H,5-7H2,1-2H3,(H,13,15)
InChIKeyRJCNCMNXQWRTBZ-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.51
Rot. Bonds7

About N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide

N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide (PubChem CID 111662690) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
PubChem CID111662690
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
SMILESCC(C)COCC(O)CNC(=O)c1ccsc1
InChIInChI=1S/C12H19NO3S/c1-9(2)6-16-7-11(14)5-13-12(15)10-3-4-17-8-10/h3-4,8-9,11,14H,5-7H2,1-2H3,(H,13,15)
InChIKeyRJCNCMNXQWRTBZ-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide
CID 111697721
N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
CID 114298911
4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
CID 111697663
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
CID 106287256
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide
CID 111697672
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide
CID 97416773
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide (CID 111662690) is N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide is CC(C)COCC(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide?
The InChIKey is RJCNCMNXQWRTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(2)6-16-7-11(14)5-13-12(15)10-3-4-17-8-10/h3-4,8-9,11,14H,5-7H2,1-2H3,(H,13,15).
What are the key properties of N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide?
N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 111662690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).