N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

C13H20N2O3S — CID 103759054

IUPACN-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-9(2)10(5-6-16)15-12(17)8-14-13(18)11-4-3-7-19-11/h3-4,7,9-10,16H,5-6,8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyUXTXERAXILRIGO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.00
Rot. Bonds7

About N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 103759054) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID103759054
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-9(2)10(5-6-16)15-12(17)8-14-13(18)11-4-3-7-19-11/h3-4,7,9-10,16H,5-6,8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyUXTXERAXILRIGO-UHFFFAOYSA-N
XLogP1.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 103782548
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
CID 120506210
N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 112795550
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370
(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 107563695
3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 43092634
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
N-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9437374
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18162547
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 103759054) is N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is CC(C)C(CCO)NC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is UXTXERAXILRIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)10(5-6-16)15-12(17)8-14-13(18)11-4-3-7-19-11/h3-4,7,9-10,16H,5-6,8H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 103759054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).