N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide

C18H20N2O3S2 — CID 1204119

IUPACN-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)c1cccs1
InChIInChI=1S/C18H20N2O3S2/c21-16(14-6-3-11-24-14)19-17-15(12-4-1-2-5-13(12)25-17)18(22)20-7-9-23-10-8-20/h3,6,11H,1-2,4-5,7-10H2,(H,19,21)
InChIKeyUPGDQYJCIIKXIA-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.41
Rot. Bonds3

About N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide

N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide (PubChem CID 1204119) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide
PubChem CID1204119
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)c1cccs1
InChIInChI=1S/C18H20N2O3S2/c21-16(14-6-3-11-24-14)19-17-15(12-4-1-2-5-13(12)25-17)18(22)20-7-9-23-10-8-20/h3,6,11H,1-2,4-5,7-10H2,(H,19,21)
InChIKeyUPGDQYJCIIKXIA-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
N-(3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 1190622
3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
CID 23628220
2-(Thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 675901
N-(2-hydroxyethyl)-N-methyl-2-[(phenylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1111969
2-(3-methylthiophen-2-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
CID 658850
2-(Thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 868983
N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-acetamide
CID 1358927
6-tert-Butyl-2-[(thiophene-2-carbonyl)-amino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide
CID 2862078
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855297
2-(5-Methylthiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 16610063

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide (CID 1204119) is N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide is O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)c1cccs1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide?
The InChIKey is UPGDQYJCIIKXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c21-16(14-6-3-11-24-14)19-17-15(12-4-1-2-5-13(12)25-17)18(22)20-7-9-23-10-8-20/h3,6,11H,1-2,4-5,7-10H2,(H,19,21).
What are the key properties of N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide?
N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1204119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).