N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

C12H18N2O3S — CID 113492648

IUPACN-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCCC(O)CNC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C12H18N2O3S/c1-3-9(15)6-13-11(16)7-14-12(17)10-5-4-8(2)18-10/h4-5,9,15H,3,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyKXIGEPPLKXYYLV-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.67
Rot. Bonds6

About N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 113492648) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID113492648
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCCC(O)CNC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C12H18N2O3S/c1-3-9(15)6-13-11(16)7-14-12(17)10-5-4-8(2)18-10/h4-5,9,15H,3,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyKXIGEPPLKXYYLV-UHFFFAOYSA-N
XLogP0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 106108149
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 47439179
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114779
N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 103825297
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18112632
2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62694994

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 113492648) is N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is CCC(O)CNC(=O)CNC(=O)c1ccc(C)s1.
What is the InChIKey of N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is KXIGEPPLKXYYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-9(15)6-13-11(16)7-14-12(17)10-5-4-8(2)18-10/h4-5,9,15H,3,6-7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 113492648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).