5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide

C14H20BrN3O3S — CID 55835114

IUPAC5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCCCN1CCOCC1
InChIInChI=1S/C14H20BrN3O3S/c15-12-3-2-11(22-12)14(20)17-10-13(19)16-4-1-5-18-6-8-21-9-7-18/h2-3H,1,4-10H2,(H,16,19)(H,17,20)
InChIKeyNXSMSKQGGFRBEX-UHFFFAOYSA-N
MW390.30 g/mol
LogP1.08
Rot. Bonds7

About 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55835114) has the molecular formula C14H20BrN3O3S and a molecular weight of 390.30 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID55835114
Molecular FormulaC14H20BrN3O3S
Molecular Weight390.30 g/mol
Exact Mass389.04
IUPAC Name5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCCCN1CCOCC1
InChIInChI=1S/C14H20BrN3O3S/c15-12-3-2-11(22-12)14(20)17-10-13(19)16-4-1-5-18-6-8-21-9-7-18/h2-3H,1,4-10H2,(H,16,19)(H,17,20)
InChIKeyNXSMSKQGGFRBEX-UHFFFAOYSA-N
XLogP1.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]thiophene-2-carboxamide
CID 55853534
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
5-(3-aminoprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 61075848
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
5-bromo-N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 55853493
4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide
CID 55848187

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 55835114) is 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(Br)s1)NCCCN1CCOCC1.
What is the InChIKey of 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is NXSMSKQGGFRBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3S/c15-12-3-2-11(22-12)14(20)17-10-13(19)16-4-1-5-18-6-8-21-9-7-18/h2-3H,1,4-10H2,(H,16,19)(H,17,20).
What are the key properties of 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 390.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55835114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).