1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea

C25H28N4O4S — CID 11712726

IUPAC1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCC(C)(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)Nc2ccc(Oc3ccncc3)cc2)s1
InChIInChI=1S/C25H28N4O4S/c1-25(2,3)21-16-20(23(30)29-12-14-32-15-13-29)22(34-21)28-24(31)27-17-4-6-18(7-5-17)33-19-8-10-26-11-9-19/h4-11,16H,12-15H2,1-3H3,(H2,27,28,31)
InChIKeyVLQOSUGFNLRXAQ-UHFFFAOYSA-N
MW480.59 g/mol
LogP5.35
Rot. Bonds5

About 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea

1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 11712726) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID11712726
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCC(C)(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)Nc2ccc(Oc3ccncc3)cc2)s1
InChIInChI=1S/C25H28N4O4S/c1-25(2,3)21-16-20(23(30)29-12-14-32-15-13-29)22(34-21)28-24(31)27-17-4-6-18(7-5-17)33-19-8-10-26-11-9-19/h4-11,16H,12-15H2,1-3H3,(H2,27,28,31)
InChIKeyVLQOSUGFNLRXAQ-UHFFFAOYSA-N
XLogP5.35
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-tert-butyl-3-(1-oxo-1,4-thiazinane-4-carbonyl)thiophen-2-yl]-3-(4-phenoxyphenyl)urea
CID 143241043
1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(3,5-difluorophenyl)urea
CID 58679294
1-[3-tert-butyl-1-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706834
1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(2-tert-butylphenyl)urea
CID 58679415
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11531206
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
1-[5-tert-butyl-3-[2,2-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-oxopiperazine-1-carbonyl]thiophen-2-yl]-3-(4-methyl-3-pyridin-4-ylphenyl)urea
CID 44817857
5-tert-butyl-2-[[4-methyl-3-[6-(3-morpholin-4-ylpropoxy)-3-pyridinyl]phenyl]carbamoylamino]-N-propylthiophene-3-carboxamide
CID 91488502
1-(3-methoxy-4-piperidin-1-ylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
CID 10387293
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
1-[3-tert-butyl-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 141209874
N-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103828

Frequently Asked Questions

What is the IUPAC name of 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea (CID 11712726) is 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea is CC(C)(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)Nc2ccc(Oc3ccncc3)cc2)s1.
What is the InChIKey of 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is VLQOSUGFNLRXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-25(2,3)21-16-20(23(30)29-12-14-32-15-13-29)22(34-21)28-24(31)27-17-4-6-18(7-5-17)33-19-8-10-26-11-9-19/h4-11,16H,12-15H2,1-3H3,(H2,27,28,31).
What are the key properties of 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 480.59 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 11712726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).