3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide

C22H19Cl3N2O2S — CID 141010360

IUPAC3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1sc(CN2CCOCC2)cc1Cl)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N2O2S/c23-15-1-5-17(6-2-15)27(18-7-3-16(24)4-8-18)22(28)21-20(25)13-19(30-21)14-26-9-11-29-12-10-26/h1-8,13H,9-12,14H2
InChIKeyANEAPCPYYCBRSE-UHFFFAOYSA-N
MW481.83 g/mol
LogP6.52
Rot. Bonds5

About 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide

3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 141010360) has the molecular formula C22H19Cl3N2O2S and a molecular weight of 481.83 g/mol. Its IUPAC name is 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID141010360
Molecular FormulaC22H19Cl3N2O2S
Molecular Weight481.83 g/mol
Exact Mass480.02
IUPAC Name3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1sc(CN2CCOCC2)cc1Cl)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N2O2S/c23-15-1-5-17(6-2-15)27(18-7-3-16(24)4-8-18)22(28)21-20(25)13-19(30-21)14-26-9-11-29-12-10-26/h1-8,13H,9-12,14H2
InChIKeyANEAPCPYYCBRSE-UHFFFAOYSA-N
XLogP6.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.83
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide (CID 141010360) is 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide is O=C(c1sc(CN2CCOCC2)cc1Cl)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is ANEAPCPYYCBRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O2S/c23-15-1-5-17(6-2-15)27(18-7-3-16(24)4-8-18)22(28)21-20(25)13-19(30-21)14-26-9-11-29-12-10-26/h1-8,13H,9-12,14H2.
What are the key properties of 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide?
3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 481.83 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(4-chlorophenyl)-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 141010360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).