N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

C13H20N2O3S — CID 115770942

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

About N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 115770942) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID115770942
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(CO)C(C)NC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-9(8-16)10(2)15-12(17)5-6-14-13(18)11-4-3-7-19-11/h3-4,7,9-10,16H,5-6,8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyBJTUFNWCHSGVIU-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-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-[1-(4-bromophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192625
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
CID 38196534
(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid
CID 80748969
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 103782548
2-[3-(thiophene-2-carbonylamino)propanoylamino]hexanoic acid
CID 43469860
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (CID 115770942) is N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is CC(CO)C(C)NC(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is BJTUFNWCHSGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(8-16)10(2)15-12(17)5-6-14-13(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-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]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-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 115770942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).