[2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate

C20H22N4O5S2 — CID 69356386

IUPAC[2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate
SMILESNC(=O)Nc1sc(-c2cc3c(OCCN4CCOCC4)cccc3s2)cc1OC(N)=O
InChIInChI=1S/C20H22N4O5S2/c21-19(25)23-18-14(29-20(22)26)11-17(31-18)16-10-12-13(2-1-3-15(12)30-16)28-9-6-24-4-7-27-8-5-24/h1-3,10-11H,4-9H2,(H2,22,26)(H3,21,23,25)
InChIKeyGMUOEYCQFMHSRJ-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.29
Rot. Bonds7

About [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate

[2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate (PubChem CID 69356386) has the molecular formula C20H22N4O5S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate.

Molecular Properties

Compound Name[2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate
PubChem CID69356386
Molecular FormulaC20H22N4O5S2
Molecular Weight462.55 g/mol
Exact Mass462.10
IUPAC Name[2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate
SMILESNC(=O)Nc1sc(-c2cc3c(OCCN4CCOCC4)cccc3s2)cc1OC(N)=O
InChIInChI=1S/C20H22N4O5S2/c21-19(25)23-18-14(29-20(22)26)11-17(31-18)16-10-12-13(2-1-3-15(12)30-16)28-9-6-24-4-7-27-8-5-24/h1-3,10-11H,4-9H2,(H2,22,26)(H3,21,23,25)
InChIKeyGMUOEYCQFMHSRJ-UHFFFAOYSA-N
XLogP3.29
TPSA129.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide
CID 10221992
[3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate
CID 175535996
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
methyl 3-[5-(carbamoylamino)-8-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-5-(2,2,2-trifluoroethyl)thiophene-2-carboxylate
CID 70204816
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
CID 119865216
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
CID 20645387
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865260
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate?
The IUPAC name of [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate (CID 69356386) is [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate.
What is the SMILES notation for [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate?
The canonical SMILES for [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate is NC(=O)Nc1sc(-c2cc3c(OCCN4CCOCC4)cccc3s2)cc1OC(N)=O.
What is the InChIKey of [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate?
The InChIKey is GMUOEYCQFMHSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S2/c21-19(25)23-18-14(29-20(22)26)11-17(31-18)16-10-12-13(2-1-3-15(12)30-16)28-9-6-24-4-7-27-8-5-24/h1-3,10-11H,4-9H2,(H2,22,26)(H3,21,23,25).
What are the key properties of [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate?
[2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate has a molecular weight of 462.55 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate is sourced from PubChem (CID 69356386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).