tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate

C19H29N3O4S — CID 118318290

IUPACtert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
SMILESCCN1CCc2c(sc(NC(=O)OC(C)(C)C)c2C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H29N3O4S/c1-5-21-7-6-13-14(12-21)27-16(20-18(24)26-19(2,3)4)15(13)17(23)22-8-10-25-11-9-22/h5-12H2,1-4H3,(H,20,24)
InChIKeyLLFUSXWUMPDFPM-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.95
Rot. Bonds3

About tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate

tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate (PubChem CID 118318290) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
PubChem CID118318290
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Nametert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
SMILESCCN1CCc2c(sc(NC(=O)OC(C)(C)C)c2C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H29N3O4S/c1-5-21-7-6-13-14(12-21)27-16(20-18(24)26-19(2,3)4)15(13)17(23)22-8-10-25-11-9-22/h5-12H2,1-4H3,(H,20,24)
InChIKeyLLFUSXWUMPDFPM-UHFFFAOYSA-N
XLogP2.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
CID 118318293
tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate
CID 118462132
4-[bis(2-cyanoethyl)sulfamoyl]-N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 43951412
1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one
CID 158386920
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
ethyl 1-[4-[[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 43951413
N-[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 23992475
hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride
CID 3244458
ethyl 4-[4-[[6-benzyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43951726
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(morpholine-4-carbonyl)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23991412
3-methyl-N-[3-(morpholine-4-carbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]butanamide
CID 23796833
ethyl 6-acetyl-2-(morpholine-4-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 10317711

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate (CID 118318290) is tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate is CCN1CCc2c(sc(NC(=O)OC(C)(C)C)c2C(=O)N2CCOCC2)C1.
What is the InChIKey of tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?
The InChIKey is LLFUSXWUMPDFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-5-21-7-6-13-14(12-21)27-16(20-18(24)26-19(2,3)4)15(13)17(23)22-8-10-25-11-9-22/h5-12H2,1-4H3,(H,20,24).
What are the key properties of tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate?
tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate has a molecular weight of 395.53 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 118318290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).