N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide

C22H19ClN2O3S — CID 55948792

IUPACN-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1cccs1
InChIInChI=1S/C22H19ClN2O3S/c23-16-9-7-15(8-10-16)19-14-25(11-12-28-19)22(27)17-4-1-2-5-18(17)24-21(26)20-6-3-13-29-20/h1-10,13,19H,11-12,14H2,(H,24,26)
InChIKeyFOWGANFOSDZFPV-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.87
Rot. Bonds4

About N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide

N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 55948792) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID55948792
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC NameN-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1cccs1
InChIInChI=1S/C22H19ClN2O3S/c23-16-9-7-15(8-10-16)19-14-25(11-12-28-19)22(27)17-4-1-2-5-18(17)24-21(26)20-6-3-13-29-20/h1-10,13,19H,11-12,14H2,(H,24,26)
InChIKeyFOWGANFOSDZFPV-UHFFFAOYSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
[2-(4-fluorophenyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42949369
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 56518765
N-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]thiophene-2-carboxamide
CID 119636218
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 110364184
[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone
CID 55947755
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 51147954
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4933178
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 8868793
N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 46536303
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide (CID 55948792) is N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1cccs1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is FOWGANFOSDZFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c23-16-9-7-15(8-10-16)19-14-25(11-12-28-19)22(27)17-4-1-2-5-18(17)24-21(26)20-6-3-13-29-20/h1-10,13,19H,11-12,14H2,(H,24,26).
What are the key properties of N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide?
N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 426.93 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55948792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).