5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide

C25H27F2N3O3S — CID 67083877

IUPAC5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide
SMILESCC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc(CN4CCOCC4)cc3)s2)c(F)c1
InChIInChI=1S/C25H27F2N3O3S/c1-15(31)10-17-11-20(26)23(21(27)12-17)22-13-19(24(28)32)25(34-22)29-18-4-2-16(3-5-18)14-30-6-8-33-9-7-30/h2-5,11-13,15,29,31H,6-10,14H2,1H3,(H2,28,32)
InChIKeyMYDAYEFZGIZJFS-UHFFFAOYSA-N
MW487.57 g/mol
LogP4.29
Rot. Bonds8

About 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide (PubChem CID 67083877) has the molecular formula C25H27F2N3O3S and a molecular weight of 487.57 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide
PubChem CID67083877
Molecular FormulaC25H27F2N3O3S
Molecular Weight487.57 g/mol
Exact Mass487.17
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide
SMILESCC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc(CN4CCOCC4)cc3)s2)c(F)c1
InChIInChI=1S/C25H27F2N3O3S/c1-15(31)10-17-11-20(26)23(21(27)12-17)22-13-19(24(28)32)25(34-22)29-18-4-2-16(3-5-18)14-30-6-8-33-9-7-30/h2-5,11-13,15,29,31H,6-10,14H2,1H3,(H2,28,32)
InChIKeyMYDAYEFZGIZJFS-UHFFFAOYSA-N
XLogP4.29
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68741098
6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
CID 68739696
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[2-[[3-(fluoromethyl)morpholin-4-yl]methyl]pyrimidin-4-yl]amino]thiophene-3-carboxamide
CID 68739616
methyl N-[[4-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]phenyl]methyl]carbamate
CID 58256460
5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxyethylamino)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68738195
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
2-[[6-(hydroxymethyl)naphthalen-2-yl]amino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1,3-thiazole-4-carboxamide
CID 123449965
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-pyridin-1-ium-4-ylthiophene-3-carboxamide
CID 163556947
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 25124467

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide (CID 67083877) is 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide is CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc(CN4CCOCC4)cc3)s2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide?
The InChIKey is MYDAYEFZGIZJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O3S/c1-15(31)10-17-11-20(26)23(21(27)12-17)22-13-19(24(28)32)25(34-22)29-18-4-2-16(3-5-18)14-30-6-8-33-9-7-30/h2-5,11-13,15,29,31H,6-10,14H2,1H3,(H2,28,32).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[4-(morpholin-4-ylmethyl)anilino]thiophene-3-carboxamide is sourced from PubChem (CID 67083877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).