N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

C12H18N2O3S — CID 43500673

IUPACN-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(C)(CO)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C12H18N2O3S/c1-12(2,8-15)14-10(16)3-5-13-11(17)9-4-6-18-7-9/h4,6-7,15H,3,5,8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyWQJJHVBOMDOWFL-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.76
Rot. Bonds6

About N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 43500673) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID43500673
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(C)(CO)NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C12H18N2O3S/c1-12(2,8-15)14-10(16)3-5-13-11(17)9-4-6-18-7-9/h4,6-7,15H,3,5,8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyWQJJHVBOMDOWFL-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 43500673) is N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is CC(C)(CO)NC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is WQJJHVBOMDOWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,8-15)14-10(16)3-5-13-11(17)9-4-6-18-7-9/h4,6-7,15H,3,5,8H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 43500673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).