N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide

C16H20N2O2S2 — CID 3237806

IUPACN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C16H20N2O2S2/c1-12(17-16(19)14-5-3-11-22-14)15(13-4-2-10-21-13)18-6-8-20-9-7-18/h2-5,10-12,15H,6-9H2,1H3,(H,17,19)
InChIKeyGTOPDBVOQUWJNW-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.00
Rot. Bonds5

About N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide

N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 3237806) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
PubChem CID3237806
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C16H20N2O2S2/c1-12(17-16(19)14-5-3-11-22-14)15(13-4-2-10-21-13)18-6-8-20-9-7-18/h2-5,10-12,15H,6-9H2,1H3,(H,17,19)
InChIKeyGTOPDBVOQUWJNW-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 3573521
3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-2-yl)-methanone
CID 11695753
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(2-methoxy-ethyl)-carbamoyl]-methyl}-amide
CID 649267
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-thiophen-2-ylmethyl-amide
CID 649773

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide (CID 3237806) is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is GTOPDBVOQUWJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12(17-16(19)14-5-3-11-22-14)15(13-4-2-10-21-13)18-6-8-20-9-7-18/h2-5,10-12,15H,6-9H2,1H3,(H,17,19).
What are the key properties of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide?
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3237806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).