2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide

C18H22N4O4S — CID 10221992

IUPAC2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(OCCN3CCOCC3)cc2)cc1C(N)=O
InChIInChI=1S/C18H22N4O4S/c19-16(23)14-11-15(27-17(14)21-18(20)24)12-1-3-13(4-2-12)26-10-7-22-5-8-25-9-6-22/h1-4,11H,5-10H2,(H2,19,23)(H3,20,21,24)
InChIKeyXAMWZVZMVHWABR-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.72
Rot. Bonds7

About 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide (PubChem CID 10221992) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide
PubChem CID10221992
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(OCCN3CCOCC3)cc2)cc1C(N)=O
InChIInChI=1S/C18H22N4O4S/c19-16(23)14-11-15(27-17(14)21-18(20)24)12-1-3-13(4-2-12)26-10-7-22-5-8-25-9-6-22/h1-4,11H,5-10H2,(H2,19,23)(H3,20,21,24)
InChIKeyXAMWZVZMVHWABR-UHFFFAOYSA-N
XLogP1.72
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 10475997
3-(carbamoylamino)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 10270770
cyclopentyl (2R)-2-amino-5-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenoxy]pentanoate
CID 67415740
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
[2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)-1-benzothiophen-2-yl]thiophen-3-yl] carbamate
CID 69356386
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide
CID 44560752
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 11560615
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
2-(4-chlorophenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604854
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide (CID 10221992) is 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(OCCN3CCOCC3)cc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide?
The InChIKey is XAMWZVZMVHWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c19-16(23)14-11-15(27-17(14)21-18(20)24)12-1-3-13(4-2-12)26-10-7-22-5-8-25-9-6-22/h1-4,11H,5-10H2,(H2,19,23)(H3,20,21,24).
What are the key properties of 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 10221992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).