4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C27H31N5O5S — CID 11635199

IUPAC4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCOCC3)cc2)ccn1
InChIInChI=1S/C27H31N5O5S/c1-27(2,3)22-16-20(25(34)32-11-13-36-14-12-32)24(38-22)31-26(35)30-17-5-7-18(8-6-17)37-19-9-10-29-21(15-19)23(33)28-4/h5-10,15-16H,11-14H2,1-4H3,(H,28,33)(H2,30,31,35)
InChIKeyOWRZWTJRHZVQFM-UHFFFAOYSA-N
MW537.64 g/mol
LogP4.71
Rot. Bonds6

About 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 11635199) has the molecular formula C27H31N5O5S and a molecular weight of 537.64 g/mol. Its IUPAC name is 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID11635199
Molecular FormulaC27H31N5O5S
Molecular Weight537.64 g/mol
Exact Mass537.20
IUPAC Name4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCOCC3)cc2)ccn1
InChIInChI=1S/C27H31N5O5S/c1-27(2,3)22-16-20(25(34)32-11-13-36-14-12-32)24(38-22)31-26(35)30-17-5-7-18(8-6-17)37-19-9-10-29-21(15-19)23(33)28-4/h5-10,15-16H,11-14H2,1-4H3,(H,28,33)(H2,30,31,35)
InChIKeyOWRZWTJRHZVQFM-UHFFFAOYSA-N
XLogP4.71
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.64
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(pyridin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11648145
2-Amino-N-(4-methoxy-phenyl)-5-(5-morpholin-4-ylmethyl-thiophen-2-yl)-nicotinamide
CID 71061146
Ethyl 2-[4-[3-[[7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propyl]piperazin-1-yl]acetate
CID 86290582
1-[5-Tert-butyl-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 53323173
1-[5-Tert-butyl-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11649421
2-{2,4-dioxo-3-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}-N-(2-ethoxyphenyl)acetamide
CID 16010605
2-(2,4-dioxo-3-(thiophen-2-ylmethyl)-3,4-dihydropyrido[3,2-d]pyrimidin-1(2H)-yl)-N-(2-ethoxyphenyl)acetamide
CID 16841949
5-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamoylamino]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 145989795
2-(2,4-dioxo-3-(thiophen-2-ylmethyl)-3,4-dihydropyrido[3,2-d]pyrimidin-1(2H)-yl)-N-(2-methoxyphenyl)acetamide
CID 16841946
2-{2,4-dioxo-3-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}-N-(4-ethoxyphenyl)acetamide
CID 16841950
1-(4-methoxyphenyl)-4-oxo-N-[4-[[2-(2-thiophen-2-ylethylcarbamoyl)-4-pyridinyl]oxy]phenyl]quinoline-3-carboxamide
CID 178322312
7-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-N-(2-morpholin-4-ylethyl)thieno[3,2-b]pyridine-2-carboxamide
CID 11599647

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 11635199) is 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3sc(C(C)(C)C)cc3C(=O)N3CCOCC3)cc2)ccn1.
What is the InChIKey of 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is OWRZWTJRHZVQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O5S/c1-27(2,3)22-16-20(25(34)32-11-13-36-14-12-32)24(38-22)31-26(35)30-17-5-7-18(8-6-17)37-19-9-10-29-21(15-19)23(33)28-4/h5-10,15-16H,11-14H2,1-4H3,(H,28,33)(H2,30,31,35).
What are the key properties of 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 537.64 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-tert-butyl-3-(morpholine-4-carbonyl)thiophen-2-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 11635199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).