N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide

C14H20N2O2S2 — CID 124607970

IUPACN-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CCS1
InChIInChI=1S/C14H20N2O2S2/c1-10(2)12-9-16(5-7-20-12)13(17)8-15-14(18)11-4-3-6-19-11/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyAPNNLRIWELRGIF-LBPRGKRZSA-N
MW312.46 g/mol
LogP2.08
Rot. Bonds4

About N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide (PubChem CID 124607970) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide
PubChem CID124607970
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC NameN-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CCS1
InChIInChI=1S/C14H20N2O2S2/c1-10(2)12-9-16(5-7-20-12)13(17)8-15-14(18)11-4-3-6-19-11/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyAPNNLRIWELRGIF-LBPRGKRZSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 114679823
N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 115775171
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 81208598
methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate
CID 78927122
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 43390914
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 102934265
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
3-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 63146495
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
N-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 23461482

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide (CID 124607970) is N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide is CC(C)[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CCS1.
What is the InChIKey of N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is APNNLRIWELRGIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-10(2)12-9-16(5-7-20-12)13(17)8-15-14(18)11-4-3-6-19-11/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,15,18)/t12-/m0/s1.
What are the key properties of N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 124607970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).