N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide

C12H19NO3S — CID 113347714

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C12H19NO3S/c1-11(2,12(3,4)15)13-10(14)9-6-8(16-5)7-17-9/h6-7,15H,1-5H3,(H,13,14)
InChIKeyZUDQCRXXCOHRSH-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.04
Rot. Bonds4

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 113347714) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide
PubChem CID113347714
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C12H19NO3S/c1-11(2,12(3,4)15)13-10(14)9-6-8(16-5)7-17-9/h6-7,15H,1-5H3,(H,13,14)
InChIKeyZUDQCRXXCOHRSH-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid
CID 81118104
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 81122518
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid
CID 172680009
4-methoxy-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115410128
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
N-(4-hydroxybutan-2-yl)-4-methoxythiophene-2-carboxamide
CID 115283653
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethoxybenzamide
CID 106179978
2-(4-methoxythiophen-2-yl)-2-oxoacetaldehyde
CID 139828068
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide
CID 103895410
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide (CID 113347714) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC(C)(C)C(C)(C)O)c1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is ZUDQCRXXCOHRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-11(2,12(3,4)15)13-10(14)9-6-8(16-5)7-17-9/h6-7,15H,1-5H3,(H,13,14).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 113347714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).