3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene

C24H27ClN4O3S — CID 143785064

IUPAC3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1N.O=Nc1ccc(Cl)cc1
InChIInChI=1S/C18H23N3O2S.C6H4ClNO/c1-11-10-12(2)16(21-5-7-23-8-6-21)13(3)15(11)20-18(22)17-14(19)4-9-24-17;7-5-1-3-6(8-9)4-2-5/h4,9-10H,5-8,19H2,1-3H3,(H,20,22);1-4H
InChIKeyOYXKPENRCUDFOA-UHFFFAOYSA-N
MW487.03 g/mol
LogP6.08
Rot. Bonds4

About 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene

3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene (PubChem CID 143785064) has the molecular formula C24H27ClN4O3S and a molecular weight of 487.03 g/mol. Its IUPAC name is 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene.

Molecular Properties

Compound Name3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene
PubChem CID143785064
Molecular FormulaC24H27ClN4O3S
Molecular Weight487.03 g/mol
Exact Mass486.15
IUPAC Name3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene
SMILESCc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1N.O=Nc1ccc(Cl)cc1
InChIInChI=1S/C18H23N3O2S.C6H4ClNO/c1-11-10-12(2)16(21-5-7-23-8-6-21)13(3)15(11)20-18(22)17-14(19)4-9-24-17;7-5-1-3-6(8-9)4-2-5/h4,9-10H,5-8,19H2,1-3H3,(H,20,22);1-4H
InChIKeyOYXKPENRCUDFOA-UHFFFAOYSA-N
XLogP6.08
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.03
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene?
The IUPAC name of 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene (CID 143785064) is 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene.
What is the SMILES notation for 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene?
The canonical SMILES for 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene is Cc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1N.O=Nc1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene?
The InChIKey is OYXKPENRCUDFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.C6H4ClNO/c1-11-10-12(2)16(21-5-7-23-8-6-21)13(3)15(11)20-18(22)17-14(19)4-9-24-17;7-5-1-3-6(8-9)4-2-5/h4,9-10H,5-8,19H2,1-3H3,(H,20,22);1-4H.
What are the key properties of 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene?
3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene has a molecular weight of 487.03 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide;1-chloro-4-nitrosobenzene is sourced from PubChem (CID 143785064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).